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  • 251.
    Dobrovolskiy, Alexander
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Funktionella elektroniska material. Linköpings universitet, Tekniska högskolan.
    Persson, Per O. Å
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Sukrittanon, Supanee
    Graduate Program of Materials Science and Engineering, University of California, La Jolla, California 92093, United States.
    Kuang, Yanjin
    Department of Physics, University of California, La Jolla, California 92093, United States.
    Tu, CHarles W.
    Department of Electrical and Computer Engineering, University of California, La Jolla, California 92093, United States.
    Chen, Weimin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Funktionella elektroniska material. Linköpings universitet, Tekniska högskolan.
    Buyanova, Irina
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Funktionella elektroniska material. Linköpings universitet, Tekniska högskolan.
    Effects of Polytypism on Optical Properties and Band Structure ofIndividual Ga(N)P Nanowires from Correlative Spatially Resolved Structural and Optical Studies2015Inngår i: Nano letters (Print), ISSN 1530-6984, E-ISSN 1530-6992, Vol. 15, nr 6, s. 4052-4058Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    III-V semiconductor nanowires (NWs) have gained significant interest as building blocks in novel nanoscale devices. The one-dimensional (1D) nanostructure architecture allows one to extend band structure engineering beyond quantum confinement effects by utilizing formation of different crystal phases that are thermodynamically unfavorable in bulk materials. It is therefore of crucial importance to understand the influence of variations in the NWs crystal structure on their fundamental physical properties. In this work we investigate effects of structural polytypism on the optical properties of gallium phosphide and GaP/GaNP core/shell NW structures by a correlative investigation on the structural and optical properties of individual NWs. The former is monitored by transmission electron microscopy, whereas the latter is studied via cathodoluminescence (CL) mapping. It is found that structural defects, such as rotational twins in zinc blende (ZB) GaNP, have detrimental effects on light emission intensity at low temperatures by promoting nonradiative recombination processes. On the other hand, formation of the wurtzite (WZ) phase does not notably affect the CL intensity neither in GaP nor in the GaNP alloy. This suggests that zone folding in WZ GaP does not enhance its radiative efficiency, consistent with theoretical predictions. We also show that the change in the lattice structure have negligible effects on the bandgap energies of the GaNP alloys, at least within the range of the investigated nitrogen compositions of <2%. Both WZ and ZB GaNP are found to have a significantly higher efficiency of radiative recombination as compared with that in parental GaP, promising for potential applications of GaNP NWs as efficient nanoscale light emitters within the desirable amber-red spectral range.

  • 252.
    Dorri, Samira
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Linköpings universitet.
    Growth and Characterization of CrB2/TiB2 Superlattices by Magnetron Sputtering2019Independent thesis Advanced level (degree of Master (Two Years)), 20 poäng / 30 hpOppgave
    Abstract [en]

    In the present work, growth and structural characterization of CrB2/TiB2 superlattices on (0001) Al2O3 substrate is studied. The superlattices are grown using a direct current magnetron sputtering (DCMS) system with a base pressure of <9E-7 Torr.

    For structural characterization X-ray diffraction (XRD), X-ray reflectivity (XRR), transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy dispersive X-ray spectroscopy (EDX), and scanning transmission electron microscopy (STEM) are used. Hardness is measured using nanoindentation technique.

    For growth of CrB2/TiB2 superlattices it is shown that the sputtering gas pressure of PAr= 4 mTorr, and substrate temperature of T= 600 °C are optimized parameters for growing well-structured superlattices with good interface quality. Superlattices with a layer thickness ratio of Γ= 0.43 (Γ= DTiB2/DCrB2+DTiB2) and a total thickness of 1 μm are deposited with different modulation periods Λ=1, 2, 6, 8, and 10 nm to see the layer-thickness affect on the quality of the structures. XRD and TEM results show that by increasing the modulation period, the quality of superlattices with smooth interfaces increases. The superlattices with modulation period Λ=8 nm is shown to be the best structure having coherent lattice and smooth interfaces up to ~20 periods. The STEM analysis shows that after about 20 periods, grains started to grow at slightly different orientations. A superlattice of TiB2/CrB2(having TiB2 as the first deposited layer) with modulation period Λ=8 nm shows an epitaxial growth of TiBon Al2O3 (0001) substrate, however, no big difference between the structure of TiB2/CrBand CrB2/TiB2 superlattices is seen.

    EDX maps and line profiles show that there is a diffusion of CrB2 into TiB2 layers which is a serious problem for obtaining sharp interfaces. STEM also shows that for a small modulation period of Λ=1 nm, there is a faint layered structure, whereas EDX, SAED and XRD indicates a homogenous textures Ti-Cr-B film in this sample.

    Finally, the hardness measurement shows a hardness value of 29-34 GPa for different modulation periods. The lowest hardness value is related to the sample with modulation period of Λ=1 nm with about 29 GPa, and the highest hardness is related to the sample with Λ=8 nm ith around 34 GPa.

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  • 253.
    dos Santos, R. B.
    et al.
    University of Federal Bahia, Brazil.
    Rivelino, R.
    University of Federal Bahia, Brazil.
    de Brito Mota, F.
    University of Federal Bahia, Brazil.
    Kostov Gueorguiev, Gueorgui
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Kakanakova-Gueorguie, Anelia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Dopant species with Al-Si and N-Si bonding in the MOCVD of AlN implementing trimethylaluminum, ammonia and silane2015Inngår i: Journal of Physics D: Applied Physics, ISSN 0022-3727, E-ISSN 1361-6463, Vol. 48, nr 29, artikkel-id 295104Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We have investigated gas-phase reactions driven by silane (SiH4), which is the dopant precursor in the metalorganic chemical vapor deposition (MOCVD) of aluminum nitride (AlN) doped by silicon, with prime focus on determination of the associated energy barriers. Our theoretical strategy is based on combining density-functional methods with minimum energy path calculations. The outcome of these calculations is suggestive for kinetically plausible and chemically stable reaction species with Al-Si bonding such as (CH3)(2)AlSiH3 and N-Si bonding such as H2NSiH3. Within this theoretical perspective, we propose a view of these reaction species as relevant for the actual MOCVD of Si-doped AlN, which is otherwise known to be contributed by the reaction species (CH3)(2)AlNH2 with Al-N bonding. By reflecting on experimental evidence in the MOCVD of various doped semiconductor materials, it is anticipated that the availability of dopant species with Al-Si, and alternatively N-Si bonding near the hot deposition surface, can govern the incorporation of Si atoms, as well as other point defects, at the AlN surface.

  • 254.
    dos Santos, Renato B.
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi. Linköpings universitet, Tekniska fakulteten. University of Federal Bahia, Brazil.
    de Brito Mota, F.
    University of Federal Bahia, Brazil.
    Rivelino, R.
    University of Federal Bahia, Brazil.
    Kakanakova-Gueorguie, Anelia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Gueorguiev, Gueorgui Kustov
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties2016Inngår i: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 27, nr 14, s. 145601-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Graphite-like hexagonal AlN (h-AlN) multilayers have been experimentally manifested and theoretically modeled. The development of any functional electronics applications of h-AlN would most certainly require its integration with other layered materials, particularly graphene. Here, by employing vdW-corrected density functional theory calculations, we investigate structure, interaction energy, and electronic properties of van der Waals stacking sequences of few-layer h-AlN with graphene. We find that the presence of a template such as graphene induces enough interlayer charge separation in h-AlN, favoring a graphite-like stacking formation. We also find that the interface dipole, calculated per unit cell of the stacks, tends to increase with the number of stacked layers of h-AlN and graphene.

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  • 255.
    dos Santos, Renato B.
    et al.
    University of Federal Bahia, Brazil.
    Rivelino, R.
    University of Federal Bahia, Brazil.
    de Brito Mota, F.
    University of Federal Bahia, Brazil.
    Kakanakova-Gueorguie, Anelia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Gueorguiev, Gueorgui Kostov
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Feasibility of novel (H3C)(n)X(SiH3)(3-n) compounds (X = B, Al, Ga, In): structure, stability, reactivity, and Raman characterization from ab initio calculations2015Inngår i: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 44, nr 7, s. 3356-3366Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We employ ab initio calculations to predict the equilibrium structure, stability, reactivity, and Raman scattering properties of sixteen different (H3C)(n)X(SiH3)(3-n) compounds (X = B, Al, Ga, In) with n = 0-3. Among this methylsilylmetal family, only the (H3C)(3)X members, i.e., trimethylboron (TMB), trimethylaluminum (TMA), trimethylgallium (TMG), and trimethylindium (TMI), are currently well-studied. The remaining twelve compounds proposed here open up a two-dimensional array of new possibilities for precursors in various deposition processes, and evoke potential applications in the chemical synthesis of other compounds. We infer that within the (H3C)(n)X(SiH3)(3-n) family, the compounds with fewer silyl groups (and consequently with more methyl groups) are less reactive and more stable. This trend is verified from the calculated cohesive energy, Gibbs free energy of formation, bond strength, and global chemical indices. Furthermore, we propose sequential reaction routes for the synthesis of (H3C)(n)X(SiH3)(3-n) by substitution of methyl by silyl groups, where the silicon source is the silane gas. The corresponding reaction barriers for these chemical transformations lie in the usual energy range typical for MOCVD processes. We also report the Raman spectra and light scattering properties of the newly proposed (H3C)(n)X(SiH3)(3-n) compounds, in comparison with available data of known members of this family. Thus, our computational experiment provides useful information for a systematic understanding of the stability/reactivity and for the identification of these compounds.

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  • 256.
    dos Santos, Renato B
    et al.
    Instituto de Física, Universidade Federal da Bahia, Salvador, Bahia, Brazil.
    Rivelino, R
    Instituto de Física, Universidade Federal da Bahia, Salvador, Bahia, Brazil.
    de Brito Mota, F
    Instituto de Física, Universidade Federal da Bahia, Salvador, Bahia, Brazil.
    Kostov Gueorguiev, Gueorgui
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Effects of N doping on the electronic properties of a small carbon atomic chain with distinct sp(2) terminations: A first-principles study2011Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, nr 7, s. 075417-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    arbon nanostructures consisting of corannulene/coronene-like pieces connected by atomic chains and doped with nitrogen atoms have been addressed by carrying out first-principles calculations within the framework of the spin-polarized density functional theory. Our results show that the conformation, charge distributions, and spin states are significantly influenced by the nitrogen incorporation in comparison to these characteristics of similar pure carbon structures. Higher concentration of incorporated nitrogen leads to a smaller highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap and different conductive states near the Fermi level. In turn the different location of the N-incorporation sites allows switching on and off of the pi-electron magnetism in these systems. We found that the rotational deformation of the terminations with respect to the carbon chain depends on the number and the location of the incorporated N atoms. The most stable N-doped structures exhibit a relative rotation of the terminations of approximately 90 degrees. These findings indicate that by controllable N doping one can tune the conducting channel of carbon chains connected to sp(2) terminations; thus obtaining low band-gap nano-units.

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  • 257.
    dos Santos, Renato B.
    et al.
    University of Federal Bahia, Brazil .
    Rivelino, Roberto
    University of Federal Bahia, Brazil .
    de B. Mota, Fernando
    University of Federal Bahia, Brazil .
    Gueorguiev, Gueorgui Kostov
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Exploring Hydrogenation and Fluorination in Curved 2D Carbon Systems: A Density Functional Theory Study on Corannulene2012Inngår i: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 116, nr 36, s. 9080-9087Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Corannulene has been a useful prototype for studying C-based nanostructures as well as surface chemistry and reactivity of sp(2)-hybridized carbon-based materials. We have investigated fluorination and hydrogenation of corannulene carrying out density functional theory calculations. In general, the fluorination is energetically more favorable than hydrogenation of corannulene. The substitution of the peripheral H atoms in the corannulene molecule by F atoms leads to a larger cohesive energy gain than when F (or H) atoms are bonded to the hub carbon and bridge carbon sites of this molecule. As expected for doped C-based nanostructures, the hydrogenation or fluorination significantly changes the HOMO-LUMO gap of the system. We have obtained HOMO-LUMO gap variations of 0.13-3.46 eV for F-doped and 0.38-1.52 eV for H-doped systems. These variations strongly depend on the concentration and position of the incorporated F/H atoms, instead of the structural stability of the doped systems. Considering these calculations, we avoid practical difficulties associated with the addition/substitution reactions of larger curved two-dimensional (2D) carbon nanostructures, and we obtain a comprehensive and systematic understanding of a variety of F/H 2D doped systems.

  • 258.
    Du, Yong
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Shanghai Inst Technol, Peoples R China.
    Chen, Jiageng
    Shanghai Inst Technol, Peoples R China.
    Liu, Xin
    Shanghai Inst Technol, Peoples R China.
    Lu, Chun
    Shenyang Aerosp Univ, Peoples R China.
    Xu, Jiayue
    Shanghai Inst Technol, Peoples R China.
    Paul, Biplab
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Flexible n-Type Tungsten Carbide/Polylactic Acid Thermoelectric Composites Fabricated by Additive Manufacturing2018Inngår i: Coatings, ISSN 2079-6412, Vol. 8, nr 1, artikkel-id 25Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Flexible n-type tungsten carbide/polylactic acid (WC/PLA) composites were fabricated by additive manufacturing and their thermoelectric properties were investigated. The preparation of an n-type polymer-based thermoelectric composite with good stability in air atmosphere via additive manufacturing holds promise for application in flexible thermoelectric devices. For WC/PLA volume ratios varying from similar to 33% to 60%, the electrical conductivity of the composites increased from 10.6 to 42.2 S/cm, while the Seebeck coefficients were in the range -11 to -12.3 V/K. The thermal conductivities of the composites varied from similar to 0.2 to similar to 0.28 Wamp;lt;boldamp;gt;mamp;lt;/boldamp;gt;-1amp;lt;boldamp;gt;Kamp;lt;/boldamp;gt;-1 at similar to 300 K.

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  • 259.
    Du, Yong
    et al.
    Shanghai Inst Technol, Peoples R China.
    Li, Haixia
    Shanghai Inst Technol, Peoples R China.
    Jia, Xuechen
    Shanghai Inst Technol, Peoples R China.
    Dou, Yunchen
    Shanghai Inst Technol, Peoples R China.
    Xu, Jiayue
    Shanghai Inst Technol, Peoples R China.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Preparation and Thermoelectric Properties of Graphite/poly(3,4-ethyenedioxythiophene) Nanocomposites2018Inngår i: Energies, ISSN 1996-1073, E-ISSN 1996-1073, Vol. 11, nr 10, artikkel-id 2849Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Graphite/poly(3,4-ethyenedioxythiophene) (PEDOT) nanocomposites were prepared by an in-situ oxidative polymerization process. The electrical conductivity and Seebeck coefficient of the graphite/PEDOT nanocomposites with different content of graphite were measured in the temperature range from 300 K to 380 K. The results show that as the content of graphite increased from 0 to 37.2 wt %, the electrical conductivity of the nanocomposites increased sharply from 3.6 S/cm to 80.1 S/cm, while the Seebeck coefficient kept almost the same value (in the range between 12.0 V/K to 15.1 V/K) at 300 K, which lead to an increased power factor. The Seebeck coefficient of the nanocomposites increased from 300 K to 380 K, while the electrical conductivity did not substantially depend on the measurement temperature. As a result, a power factor of 3.2 Wm(-1) K-2 at 380 K was obtained for the nanocomposites with 37.2 wt % graphite.

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  • 260.
    Du, Yong
    et al.
    Shanghai Inst Technol, Peoples R China.
    Li, Jia
    Shanghai Inst Technol, Peoples R China.
    Xu, Jiayue
    Shanghai Inst Technol, Peoples R China.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Thermoelectric Properties of Reduced Graphene Oxide/Bi2Te3 Nanocomposites2019Inngår i: Energies, ISSN 1996-1073, E-ISSN 1996-1073, Vol. 12, nr 12, artikkel-id 2430Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Reduced graphene oxide (rGO)/Bi2Te3 nanocomposite powders with different contents of rGO have been synthesized by a one-step in-situ reductive method. Then, rGO/Bi2Te3 nanocomposite bulk materials were fabricated by a hot-pressing process. The effect of rGO contents on the composition, microstructure, TE properties, and carrier transportation of the nanocomposite bulk materials has been investigated. All the composite bulk materials show negative Seebeck coefficient, indicating n-type conduction. The electrical conductivity for all the rGO/Bi2Te3 nanocomposite bulk materials decreased with increasing measurement temperature from 25 degrees C to 300 degrees C, while the absolute value of Seebeck coefficient first increased and then decreased. As a result, the power factor of the bulk materials first increased and then decreased, and a power factor of 1340 mu Wm(-1)K(-2) was achieved for the nanocomposite bulk materials with 0.25 wt% rGO at 150 degrees C.

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  • 261.
    Du, Yong
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Shanghai Inst Technol, Peoples R China.
    Xu, Jiayue
    Shanghai Inst Technol, Peoples R China.
    Paul, Biplab
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Flexible thermoelectric materials and devices2018Inngår i: APPLIED MATERIALS TODAY, ISSN 2352-9407, Vol. 12, s. 366-388Artikkel, forskningsoversikt (Fagfellevurdert)
    Abstract [en]

    Thermoelectric generators (TEGs) can directly convert waste heat into electrical power. In the last few decades, most research on thermoelectrics has focused on inorganic bulk thermoelectric materials and corresponding devices, and their thermoelectric properties have been significantly improved. An emerging topic is flexible devices, where the use of bulk inorganic materials is precluded by their inherent rigidity. The purpose of this paper is to review the research progress on flexible thermoelectric materials and generators, including theoretical principles for TEGs, conducting polymer TE materials, nanocomposites comprised of inorganic nanostructures in polymer matrices and fully inorganic flexible TE materials in nanostructured thin films. Approaches for flexible TEGs and components are reviewed, and remaining challenges discussed. (C) 2018 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

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  • 262.
    Duc Tran, Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Amano, Hiroshi
    Department of Electrical Engineering and Computer Science, Nagoya University, Chikusa-ku, Nagoya, Japan.
    Monemar, Bo
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Deep level study of Mg-doped GaN using deep level transient spectroscopy and minority carrier transient spectroscopy2016Inngår i: Physical Review B, ISSN 2469-9950, Vol. 94, nr 4, artikkel-id 045206Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Deep levels in Mg doped GaN have been studied using deep level transient spectroscopyand minority charge carrier transient spectroscopy. Two traps are revealed in the investigatedtemperature range. In the substrate, one electron trap labelled ET1 (EC – 0.158 eV) is observedand in the Mg-doped layer, one hole trap labelled HT1 has been revealed. By varying theelectric field, it is found that the hole trap HT1 exhibits an electric field enhanced hole emissionrate. Using four theoretical models based on 3-dimensional Coulombic Poole-Frenkel effect, 3-dimensional square well Poole-Frenkel effect, phonon assisted tunneling, and 1-dimensionalCoulombic Poole-Frenkel effect including phonon assisted tunneling, the experimental data arefitted in order to justify the field enhanced emission process. It is found that the 1-dimensionalCoulombic Poole-Frenkel model including phonon assisted tunneling is consistent with theexperimental data. Since the trap exhibits Poole-Frenkel effect, we suggest it is acceptor like.From the theoretical model, the zero field activation energy of HT1 and an estimate of the holecapture cross section have been determined as Ev+0.57 eV and 1.9x10-15 cm2, respectively.Since the level is only observed in Mg-doped material, it is suggested that the trap can beassociated with a Mg related defect.

  • 263.
    Duc Tran, Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Investigation of deep levels in bulk GaN material grown by halide vapor phase epitaxy2013Inngår i: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 114, nr 15Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Electron traps in thick free standing GaN grown by halide vapor phase epitaxy were characterized by deep level transient spectroscopy. The measurements revealed six electron traps with activation energy of 0.252 (E1), 0.53 (E2), 0.65 (E4), 0.69 (E3), 1.40 (E5), and 1.55 eV (E6), respectively. Among the observed levels, trap E6 has not been previously reported. The filling pulse method was employed to determine the temperature dependence of the capture cross section and to distinguish between point defects and extended defects. From these measurements, we have determined the capture cross section for level E1, E2, and E4 to 3.2 × 10−16 cm2, 2.2 × 10−17 cm2, and 1.9 × 10−17 cm2, respectively. All of the measured capture cross sections were temperature independent in the measured temperature range. From the electron capturing kinetic, we conclude that trap E1, E2, and E3 are associated with point defects. From the defect concentration profile obtained by double correlated deep level transient spectroscopy, we suggest that trap E4 and E6 are introduced by the polishing process.

    Fulltekst (pdf)
    fulltext
  • 264.
    Duc Tran, Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Nguyen, Tien Son
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Kordina, Olle
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Ohshima, Takeshi
    Japan Atomic Energy Agency, Takasaki, Japan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Thermal behavior of irradiation-induced-deep levels in bulk GaN2015Manuskript (preprint) (Annet vitenskapelig)
    Abstract [en]

    Bulk GaN grown by halide vapor phase epitaxy and irradiated by 2 MeV electrons at a fluence of 5×1016 cm-2 were studied by deep level transient spectroscopy. After irradiation, two new peaks labelled D0 (EC – 0.18 eV) and D1 (EC – 0.13 eV) are observed. From isochronal annealing studies in the temperature range of 350 - 600 K, it is observed that peak D0 is completely annealed out already at 550 K while the broad peak D1 has a more complex annealing behavior. The concentration of D1 is decreasing during annealing and its peak position is shifted to higher temperatures, until a relatively stable peak labelled D2 (EC – 0.24 eV) is formed. From an isothermal annealing study of D2, it is concluded that the annealing process can be described by a first order annealing process with an activation energy and prefactor of 1.2 eV and 6.6 × 105 s-1, respectively. From the large pre-factor it is concluded that the annihilation of D2 is governed by a long-range migration process. From its annealing behavior, it is suggested that trap D2 may be related to the VGa.

  • 265.
    Duc Tran, Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Nguyen, Tien Son
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Kordina, Olle
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Ohshima, Takeshi
    Japan Atomic Energy Agency, Takasaki, Japan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Deep levels in as-grown and electron-irradiated n-type GaN studied by deep level transient spectroscopy and minority carrier transient spectroscopy2016Inngår i: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 119, nr 9Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    By minority carrier transient spectroscopy on as-grown n-type bulk GaN produced by halide vapor phase epitaxy (HVPE) one hole trap labelled H1 (EV + 0.34 eV) has been detected. After 2 MeV-energy electron irradiation, the concentration of H1 increases and at fluences higher than 5×1014 cm-2, a second hole trap labelled H2 is observed. Simultaneously, the concentration of two electron traps, labelled T1 (EC - 0.12 eV) and T2 (EC - 0.23 eV) increases. By studying the increase of the concentration versus electron irradiation fluences, the introduction rate of T1 and T2 using 2 MeV-energy electrons was determined to 7X10-3 cm-1 and 0.9 cm-1, respectively. Due to the low introduction rate of T1 and the low threading dislocation density in the HVPE bulk GaN material, it is suggested that the defect is associated with a primary defect decorating extended structural defects. The high introduction rate of the trap H1 suggests that the H1 defect is associated with a primary intrinsic defect or a complex.

  • 266.
    Duc Tran, Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Nguyen, Tien Son
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska fakulteten.
    Ohshima, Takeshi
    Japan Atomic Energy Agency, Takasaki, Japan.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Electronic properties of defects in high-fluence electron irradiated bulk GaN2016Inngår i: Physica status solidi. B, Basic research, ISSN 0370-1972, E-ISSN 1521-3951, Vol. 253, nr 3, s. 521-526Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Using deep level transient spectroscopy, deep levels and capture cross sections of defects introduced by high-fluence electron irradiation of thick halide vapour phase epitaxy grown GaN has been studied. After irradiation with 2 MeV electrons to a high-fluence of 5×1016 cm-2, four deep trap levels, labelled T1 (EC – 0.13 eV), T2 (EC – 0.18 eV), T3 (EC – 0.26 eV) T4 and a broad band of peaks consisting of at least two levels could be observed. These defects, except T1 and T3, were annealed out after annealing at 650 K for 2 hours. The capture cross section is found to be temperature independent for T2 and T3, while T1 shows an decresing capture cross section with increasing temperature, suggesting that electron capturing to this deep level is governed by a cascade capturing process.

  • 267.
    Duc, Tran Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Son, Nguyen Tien
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Ohshima, Takeshi
    Japan Atomic Energy Agency (JAEA), Takasaki, Japan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Capture cross section of electron-irradiation-induced defects in bulk GaN grown by halide vapor phase epitaxy2014Manuskript (preprint) (Annet vitenskapelig)
    Abstract [en]

    Electron-irradiation-induced defects in GaN grown by halide vapor phase epitaxy is studied by deep level transient spectroscopy in which the capture cross section and its temperature dependence of the deep levels was determined by the filling pulse method. Before irradiation, one trap level, labelled ET4 (EC – 0.244 eV), was observed. After performing electron irradiation with an energy of 2 MeV at a fluence of 5 × 1016 cm-2, four deep trap levels, labelled ET1 (EC – 0.178 eV), ET2 (EC – 0.181 eV), ET3 (EC – 0.256 eV) and ET5 appeared. After annealing at 650K for 2 hours, only two irradiation induced deep levels, ET1 and ET3, were observed. By varying the rate windows, the temperature dependence of the capture cross section of the two deep levels ET1 and ET2 and ET3 was studied. The temperature behavior of ET2 and ET3 capture cross section is independent on temperature whereas the capture cross section of the deep level ET1 depends strongly on the temperature. It is suggested that electron capturing is govern by a multiphonon process to the level ET1.

  • 268.
    Duc, Tran Thien
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Pozina, Galia
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Son, Nguyen Tien
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Janzén, Erik
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Ohshima, Takeshi
    Japan Atomic Energy Agency (JAEA), Takasaki, Japan.
    Hemmingsson, Carl
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Halvledarmaterial. Linköpings universitet, Tekniska högskolan.
    Radiation-induced defects in GaN bulk grown by halide vapor phase epitaxy2014Inngår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 105, nr 10, s. 102103-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Defects induced by electron irradiation in thick free-standing GaN layers grown by halide vapor phase epitaxy were studied by deep level transient spectroscopy. In as-grown materials, six electron traps, labeled D2 (E-C-0.24 eV), D3 (E-C-0.60 eV), D4 (E-C-0.69 eV), D5 (E-C-0.96 eV), D7 (E-C-1.19 eV), and D8, were observed. After 2MeV electron irradiation at a fluence of 1 x 10(14) cm(-2), three deep electron traps, labeled D1 (E-C-0.12 eV), D5I (E-C-0.89 eV), and D6 (E-C-1.14 eV), were detected. The trap D1 has previously been reported and considered as being related to the nitrogen vacancy. From the annealing behavior and a high introduction rate, the D5I and D6 centers are suggested to be related to primary intrinsic defects.

    Fulltekst (pdf)
    fulltext
  • 269. Duteil, F.
    et al.
    Du, Chun-Xia
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi.
    Joelsson, K.B.
    Persson, Per
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Hultman, Lars
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Pozina, Galia
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Materiefysik.
    Ni, Wei-Xin
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Yt- och Halvledarfysik.
    Hansson, Göran
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Yt- och Halvledarfysik.
    Luminescence and microstructure of Er/O co-doped Si structures grown by MBE using Er and SiO evaporation2000Inngår i: Materials Science in Semiconductor Processing, ISSN 1369-8001, E-ISSN 1873-4081, Vol. 3, nr 5-6, s. 523-528Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Er and O co-doped Si structures have been prepared using molecular-beam epitaxy (MBE) with fluxes of Er and O obtained from Er and silicon monoxide (SiO) evaporation in high-temperature cells. The incorporation of Er and O has been studied for concentrations of up to 2×1020 and 1×1021 cm-3, respectively. Surface segregation of Er can take place, but with O co-doping the segregation is suppressed and Er-doped layers without any indication of surface segregation can be prepared. Si1-xGex and Si1-yCy layers doped with Er/O during growth at different substrate temperatures show more defects than corresponding Si layers. Strong emission at 1.54µm associated with the intra-4f transition of Er3+ ions is observed in electroluminescence (EL) at room temperature in reverse-biased p-i-n-junctions. To optimize the EL intensity we have varied the Er/O ratio and the temperature during growth of the Er/O-doped layer. Using an Er-concentration of around 1×1020 cm-3 we find that Er/O ratios of 1:2 or 1:4 give higher intensity than 1:1 while the stability with respect to breakdown is reduced for the highest used O concentrations. For increasing growth temperatures in the range 400-575 °C there is an increase in the EL intensity. A positive effect of post-annealing on the photoluminescence intensity has also been observed.

  • 270.
    Dyatkin, Boris
    et al.
    Drexel Univ, PA 19104 USA; Drexel Univ, PA 19104 USA; US Army, MD 20783 USA; US Naval Res Lab, DC 20375 USA.
    Halim, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Drexel Univ, PA 19104 USA; Drexel Univ, PA 19104 USA.
    Read, Jeffrey A.
    US Army, MD 20783 USA.
    Electrode Surface Composition of Dual-Intercalation, All-Graphite Batteries2017Inngår i: C-JOURNAL OF CARBON RESEARCH, ISSN 2311-5629, Vol. 3, nr 1, artikkel-id 3010005Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Dual-intercalation batteries implement graphite electrodes as both cathodes and anodes and offer high specific energy, inexpensive and environmentally sustainable materials, and high operating voltages. Our research investigated the influence of surface composition on capacities and cycling efficiencies of chemically functionalized all-graphite battery electrodes. We subjected core-shell spherical particles and synthetic graphite flakes to high-temperature air oxidation, and hydrogenation to introduce, respectively, -OH, and -H surface functional groups. We identified noticeable influences of electrode surface chemistry on first-cycle efficiencies and charge storage densities of anion and cation intercalation into graphite electrodes. We matched oxidized cathodes and hydrogenated anodes in dual-ion batteries and improved their overall performance. Our approach provides novel fundamental insight into the anion intercalation process and suggests inexpensive and environmentally sustainable methods to improve performance of these grid-scale energy storage systems.

    Fulltekst (pdf)
    fulltext
  • 271.
    Edman Jönsson, Gustav
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Sputtring av Ti-Si-C-Ag beläggningar från sammansatta sputterkällor2009Independent thesis Advanced level (degree of Master (Two Years)), 20 poäng / 30 hpOppgave
    Abstract [sv]

    Idag används guld som kontaktmaterial på elektriska kontakter för lågströmstillämpningar. Guldhar emellertid låg nötningsbeständighet, är dyrt och miljömässigt påfrestande att utvinna. Ettalternativt kontaktmaterial till guld är nanokomposit Ti-Si-C-Ag belagt medlikströmsmagnetronsputtring. Nanokomposit Ti-Si-C-Ag har hittills belagts med sammansatt Ti-Si-C sputterkälla och separat silverkälla.

    I detta arbete har filmer belagts från tre olika sammansatta Ti-Si-C-Ag-källor med tre olikakolhalter. Filmerna har belagts i två olika beläggningssystem: Ett konventionellt batchladdat ochett sekventiellt med sluss.

    Filmernas fas- och ämnessammansättning har studerats med XRD och EDX. Tjocklek ochmikrostruktur har analyserats med SEM. Vidhäftning och resistivitet har analyserats medRockwellindentation och ytresistansmätning med fyrpunktsprob. Kontaktresistansen har ävenstuderats i begränsad mån.

    Arbetet visar att ökat kolinnehåll i källan ger kolrikare filmer med större titankarbidkorn.Resistiviteten ökar p.g.a. tilltagen amorf fas mellan kornen men kontaktresistansen sjunker givetduktilare film.

    Fulltekst (pdf)
    FULLTEXT01
  • 272.
    Edström, Daniel
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    A theoretical study of mass transport processes on TiN(001) and mechanical properties of TiN- and VN-based ternaries2014Licentiatavhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    This thesis concerns computer simulations, using classical molecular dynamics, of transport processes related to TiN(001) growth. It is motivated from the challenge to understand transport processes at the atomic scale responsible for crystal and film growth and their different growth modes. Not even the most advanced experimental techniques are capable of resolving the sub ps time and sub-Ångström length-scales required. TiN belongs to an important class of transition metal nitrides, and is chosen here as a model system for such fundamental studies of surface transport. The simulations show that on terraces, Ti adatoms exhibit much higher migration rates than N adatoms. For TiNx complexes, as x increases from 1 to 3, rotation becomes increasingly more prevalent than translation. This leads to surprisingly high mobilities of TiN2 trimers, higher than that of N adatoms. On islands, Ti adatoms experience a significant funneling effect, resulting in short residence times. TiN dimers and TiN2 trimers exhibit surprisingly high diffusivities and residence times even shorter than Ti adatoms. TiN3 trimers, however, are essentially stationary on both terraces and islands and serve as nucleation clusters. Overall, Ti adatoms and TiN2 trimers are the most efficient carriers of Ti and N atoms with and between TiN(001) surface layers. These results indicate that Ti/N flux ratios close to one promote layer-by-layer TiN(001) growth, whereas lower ratios result in surface roughening. Understanding of these phenomena enables experimentalists to tune  the growth processes to optimize material properties.

    In this thesis I also carry out theoretical calculations to investigate the role of configurational order on the metallic sublattice in relation to toughness enhancement. My studies set out from the recent understanding that the toughness of transition metal nitrides can be enhanced by tuning the valence electron concentration. My results show that ordered alloys exhibit lower resistance to shear deformations than disordered alloys, and higher resistance to tensile deformation. The lower resistance to shear deformations is explained by the formation of fully bonding electronic states perpendicular to the applied stress. Using the Pugh-Pettifor criterion, it is shown that while configurational order has an effect on the ductility of the material, this is primarily governed by the valence electron concentration.

    Delarbeid
    1. Dynamics of Ti, N, and TiNx (x=1-3) admolecule transport on TiN(001) surfaces
    Åpne denne publikasjonen i ny fane eller vindu >>Dynamics of Ti, N, and TiNx (x=1-3) admolecule transport on TiN(001) surfaces
    Vise andre…
    2012 (engelsk)Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, nr 15, s. 155443-Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We use classical molecular dynamics and the modified embedded atom method formalism to investigate the dynamics of atomic-scale transport on a low-index model compound surface, TiN(001). Our simulations, totaling 0.25 mu s for each case study, follow the pathways and migration kinetics of Ti and N adatoms, as well as TiNx complexes with x = 1-3, which are known to contribute to the growth of TiN thin films by reactive deposition from Ti, N-2, and N precursors. The simulations are carried out at 1000 K, within the optimal range for TiN(001) epitaxial growth. We find Ti adatoms to be the highest-mobility species on TiN(001), with the primary migration path involving jumps of one nearest-neighbor distance d(NN) between adjacent fourfold hollow sites along in-plane andlt; 100 andgt; channels. Long jumps, 2d(NN), are also observed, but at much lower frequency. N adatoms, which exhibit significantly lower migration rates than Ti, diffuse along in-plane andlt; 110 andgt; directions and, when they intersect other N atoms, associatively form N-2 molecules, which desorb at kinetic rates. As expected, TiN and TiN3 complexes migrate at even lower rates with complex diffusion pathways involving rotations, translations, and rototranslations. TiN2 trimers, however, are shown to have surprisingly high diffusion rates, above that of N adatoms and almost half that of Ti adatoms. TiN3 motion is dominated by in-place rotation with negligible diffusion.

    sted, utgiver, år, opplag, sider
    American Physical Society, 2012
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-86129 (URN)10.1103/PhysRevB.86.155443 (DOI)000310130800008 ()
    Merknad

    Funding Agencies|Swedish Research Council (VR)|2008-6572|Swedish Government Strategic Research Area Grant in Materials Science|Mat-LiU 2009-00971|

    Tilgjengelig fra: 2012-12-07 Laget: 2012-12-07 Sist oppdatert: 2019-06-28
    2. Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
    Åpne denne publikasjonen i ny fane eller vindu >>Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
    Vise andre…
    2014 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 558, s. 37-46Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We use classical molecular dynamics and the modified embedded atom method to determine residence times and descent pathways of Ti and N adatoms on square, single-atom-high, TiN islands on TiN(001). Simulations are carried out at 1000 K, which is within the optimal range for TiN(001) epitaxial growth. Results show that the frequency of descent events, and overall adatom residence times, depend strongly on both the TiN(001) diffusion barrier for each species as well as the adatom island-edge location immediately prior to descent. Ti adatoms, with a low diffusion barrier, rapidly move toward the island periphery, via funneling, where they diffuse along upper island edges. The primary descent mechanism for Ti adatoms is via push-out/exchange with Ti island-edge atoms, a process in which the adatom replaces an island edge atom by moving down while pushing the edge atom out onto the terrace to occupy an epitaxial position along the island edge. Double push-out events are also observed for Ti adatoms descending at N corner positions. N adatoms, with a considerably higher diffusion barrier on TiN(001), require much longer times to reach island edges and, consequently, have significantly longer residence times. N adatoms are found to descend onto the terrace by direct hopping over island edges and corner atoms, as well as by concerted push-out/exchange with N atoms adjacent to Ti corners. For both adspecies, we also observe several complex adatom/island interactions, before and after descent onto the terrace, including two instances of Ti islandatom ascent onto the island surface.

    sted, utgiver, år, opplag, sider
    Elsevier, 2014
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-91377 (URN)10.1016/j.tsf.2014.02.053 (DOI)000334314100006 ()
    Tilgjengelig fra: 2013-04-23 Laget: 2013-04-23 Sist oppdatert: 2019-06-28bibliografisk kontrollert
    3. The dynamics of TiNx (x = 1 – 3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands
    Åpne denne publikasjonen i ny fane eller vindu >>The dynamics of TiNx (x = 1 – 3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands
    Vise andre…
    2015 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 589, s. 133-144Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    It has been shown both experimentally and by density functional theory calculations that the primary diffusing species during the epitaxial growth of TiN/TiN(001) are Ti and N adatoms together with TiNx complexes (x = 1, 2, 3), in which the dominant N-containing admolecule species depends upon the incident N/Ti flux ratio. Here, we employ classical molecular dynamics (CMD) simulations to probe the dynamics of TiNx (x = 1–3) admolecules on 8 × 8 atom square, single-atom-high TiN islands on TiN(001), as well as pathways for descent over island edges. The simulations are carried out at 1000 K, a reasonable epitaxial growth temperature. We find that despite their lower mobility on infinite TiN(001) terraces, both TiN and TiN2 admolecules funnel toward descending steps and are incorporated into island edges more rapidly than Ti adatoms. On islands, TiN diffuses primarily via concerted translations, but rotation is the preferred diffusion mechanism on infinite terraces. TiN2 migration is initiated primarily by rotation about one of the N admolecule atoms anchored at an epitaxial site. TiN admolecules descend from islands by direct hopping over edges and by edge exchange reactions, while TiN2 trimers descend exclusively by hopping. In contrast, TiN3 admolecules are essentially stationary and serve as initiators for local island growth. Ti adatoms are the fastest diffusing species on infinite TiN(001) terraces, but on small TiN/TiN(001) islands, TiN dimers provide more efficient mass transport. The overall results reveal the effect of the N/Ti precursor flux ratio on TiN(001) surface morphological evolution and growth modes.

    sted, utgiver, år, opplag, sider
    Elsevier, 2015
    Emneord
    Titanium nitride; Molecular dynamics; Film growth simulations; TiNx admolecule diffusion on TiN/TiN(001) islands; TiNx admolecule descent from TiN/TiN(001) islands
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-111948 (URN)10.1016/j.tsf.2015.05.013 (DOI)000360320000023 ()
    Tilgjengelig fra: 2014-11-11 Laget: 2014-11-11 Sist oppdatert: 2019-06-28
    4. Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys
    Åpne denne publikasjonen i ny fane eller vindu >>Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys
    2014 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 571, nr Part 1, s. 145-153Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Improved toughness is one of the central goals in the development of wear-resistant coatings. Previous studies of toughness in transition metal nitride alloys have addressed the effects of chemical composition in these compounds. Herein, we use density functional theory to study the effects of various metal sublattice configurations, ranging from fully ordered to fully disordered, on the mechanical properties of VM2N and TiM2N (M2 = W, Mo) ternary alloys. Results show that all alloys display high incompressibility, indicating strong M-N bonds. Disordered atomic arrangements yield lower values of bulk moduli and C11 elastic constants, as well as higher values of C44 elastic constants, compared to ordered structures. We attribute the low C44 values of ordered structures to the formation of fully-bonding states perpendicular to the applied stress. We find that the ductility of these compounds is primarily an effect of the increased valence electron concentration induced upon alloying.

    sted, utgiver, år, opplag, sider
    Elsevier, 2014
    Emneord
    Nitrides, Density functional theory, Elastic properties, Ductility, Toughness
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-111949 (URN)10.1016/j.tsf.2014.09.048 (DOI)000346053900024 ()
    Tilgjengelig fra: 2014-11-11 Laget: 2014-11-11 Sist oppdatert: 2019-06-28bibliografisk kontrollert
    Fulltekst (pdf)
    A theoretical study of mass transport processes on TiN(001) and mechanical properties of TiN- and VN-based ternaries
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  • 273. Bestill onlineKjøp publikasjonen >>
    Edström, Daniel
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Growth and Mechanical Properties of Transition Metal Nitrides and Carbides2016Doktoravhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    The atomic-scale dynamical processes at play during film growth cannot be resolved by even the most advanced experimental methods. As such, computational methods, and chiefly classical molecular dynamics, are the only available research tools to study these processes. The investigation of key dynamical processes during thin film growth yields a deeper understanding of the film growth evolution, ultimately allowing for the optimization of experimental parameters and tailoring of film properties. This thesis details the study of fundamental surface dynamics processes, and the role played by primary diffusing species, during TiN film growth, here employed as a model system for transition metal nitrides in general. It is found that Ti adatoms and TiN2 admolecules are the fastest diffusing species, and the species which most rapidly descend from islands onto the growing film. Thus, they are the main contributors and players in driving the layer-by-layer growth mode. TiN3 admolecules, in contrast, are essentially stationary and thereby promote multilayer growth. Large-scale growth simulations reveal that tailoring the incident N/Ti ratio and N kinetic energy significantly affects the growth mode and film microstructure.

    The mechanical properties of ternary transition metal nitride and carbide alloys, investigated using density functional theory, are also discussed herein, in comparison to recent experimental results. By optimizing the valence electron concentration in these compounds, the occupation of shear-compliant d‑t2g electronic states can be maximized. The investigation of M1M2N alloys, where M1 = Ti or V and M2 = W or Mo, with different structures demonstrates that this optimization leads to enhanced ductility, and thereby toughness, in transition metal nitride alloys regardless of the degree of ordering on the metal sublattice. Estimations based on the calculation of the mechanical properties of the corresponding M1M2C transition metal carbide alloys indicate that these materials remain brittle. However, charge density analysis and calculations of stress/strain curves reveal features commonly associated with ductile materials.

    Delarbeid
    1. Dynamics of Ti, N, and TiNx (x=1-3) admolecule transport on TiN(001) surfaces
    Åpne denne publikasjonen i ny fane eller vindu >>Dynamics of Ti, N, and TiNx (x=1-3) admolecule transport on TiN(001) surfaces
    Vise andre…
    2012 (engelsk)Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, nr 15, s. 155443-Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We use classical molecular dynamics and the modified embedded atom method formalism to investigate the dynamics of atomic-scale transport on a low-index model compound surface, TiN(001). Our simulations, totaling 0.25 mu s for each case study, follow the pathways and migration kinetics of Ti and N adatoms, as well as TiNx complexes with x = 1-3, which are known to contribute to the growth of TiN thin films by reactive deposition from Ti, N-2, and N precursors. The simulations are carried out at 1000 K, within the optimal range for TiN(001) epitaxial growth. We find Ti adatoms to be the highest-mobility species on TiN(001), with the primary migration path involving jumps of one nearest-neighbor distance d(NN) between adjacent fourfold hollow sites along in-plane andlt; 100 andgt; channels. Long jumps, 2d(NN), are also observed, but at much lower frequency. N adatoms, which exhibit significantly lower migration rates than Ti, diffuse along in-plane andlt; 110 andgt; directions and, when they intersect other N atoms, associatively form N-2 molecules, which desorb at kinetic rates. As expected, TiN and TiN3 complexes migrate at even lower rates with complex diffusion pathways involving rotations, translations, and rototranslations. TiN2 trimers, however, are shown to have surprisingly high diffusion rates, above that of N adatoms and almost half that of Ti adatoms. TiN3 motion is dominated by in-place rotation with negligible diffusion.

    sted, utgiver, år, opplag, sider
    American Physical Society, 2012
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-86129 (URN)10.1103/PhysRevB.86.155443 (DOI)000310130800008 ()
    Merknad

    Funding Agencies|Swedish Research Council (VR)|2008-6572|Swedish Government Strategic Research Area Grant in Materials Science|Mat-LiU 2009-00971|

    Tilgjengelig fra: 2012-12-07 Laget: 2012-12-07 Sist oppdatert: 2019-06-28
    2. Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
    Åpne denne publikasjonen i ny fane eller vindu >>Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
    Vise andre…
    2014 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 558, s. 37-46Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We use classical molecular dynamics and the modified embedded atom method to determine residence times and descent pathways of Ti and N adatoms on square, single-atom-high, TiN islands on TiN(001). Simulations are carried out at 1000 K, which is within the optimal range for TiN(001) epitaxial growth. Results show that the frequency of descent events, and overall adatom residence times, depend strongly on both the TiN(001) diffusion barrier for each species as well as the adatom island-edge location immediately prior to descent. Ti adatoms, with a low diffusion barrier, rapidly move toward the island periphery, via funneling, where they diffuse along upper island edges. The primary descent mechanism for Ti adatoms is via push-out/exchange with Ti island-edge atoms, a process in which the adatom replaces an island edge atom by moving down while pushing the edge atom out onto the terrace to occupy an epitaxial position along the island edge. Double push-out events are also observed for Ti adatoms descending at N corner positions. N adatoms, with a considerably higher diffusion barrier on TiN(001), require much longer times to reach island edges and, consequently, have significantly longer residence times. N adatoms are found to descend onto the terrace by direct hopping over island edges and corner atoms, as well as by concerted push-out/exchange with N atoms adjacent to Ti corners. For both adspecies, we also observe several complex adatom/island interactions, before and after descent onto the terrace, including two instances of Ti islandatom ascent onto the island surface.

    sted, utgiver, år, opplag, sider
    Elsevier, 2014
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-91377 (URN)10.1016/j.tsf.2014.02.053 (DOI)000334314100006 ()
    Tilgjengelig fra: 2013-04-23 Laget: 2013-04-23 Sist oppdatert: 2019-06-28bibliografisk kontrollert
    3. Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys
    Åpne denne publikasjonen i ny fane eller vindu >>Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys
    2014 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 571, nr Part 1, s. 145-153Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Improved toughness is one of the central goals in the development of wear-resistant coatings. Previous studies of toughness in transition metal nitride alloys have addressed the effects of chemical composition in these compounds. Herein, we use density functional theory to study the effects of various metal sublattice configurations, ranging from fully ordered to fully disordered, on the mechanical properties of VM2N and TiM2N (M2 = W, Mo) ternary alloys. Results show that all alloys display high incompressibility, indicating strong M-N bonds. Disordered atomic arrangements yield lower values of bulk moduli and C11 elastic constants, as well as higher values of C44 elastic constants, compared to ordered structures. We attribute the low C44 values of ordered structures to the formation of fully-bonding states perpendicular to the applied stress. We find that the ductility of these compounds is primarily an effect of the increased valence electron concentration induced upon alloying.

    sted, utgiver, år, opplag, sider
    Elsevier, 2014
    Emneord
    Nitrides, Density functional theory, Elastic properties, Ductility, Toughness
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-111949 (URN)10.1016/j.tsf.2014.09.048 (DOI)000346053900024 ()
    Tilgjengelig fra: 2014-11-11 Laget: 2014-11-11 Sist oppdatert: 2019-06-28bibliografisk kontrollert
    4. The dynamics of TiNx (x = 1 – 3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands
    Åpne denne publikasjonen i ny fane eller vindu >>The dynamics of TiNx (x = 1 – 3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands
    Vise andre…
    2015 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 589, s. 133-144Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    It has been shown both experimentally and by density functional theory calculations that the primary diffusing species during the epitaxial growth of TiN/TiN(001) are Ti and N adatoms together with TiNx complexes (x = 1, 2, 3), in which the dominant N-containing admolecule species depends upon the incident N/Ti flux ratio. Here, we employ classical molecular dynamics (CMD) simulations to probe the dynamics of TiNx (x = 1–3) admolecules on 8 × 8 atom square, single-atom-high TiN islands on TiN(001), as well as pathways for descent over island edges. The simulations are carried out at 1000 K, a reasonable epitaxial growth temperature. We find that despite their lower mobility on infinite TiN(001) terraces, both TiN and TiN2 admolecules funnel toward descending steps and are incorporated into island edges more rapidly than Ti adatoms. On islands, TiN diffuses primarily via concerted translations, but rotation is the preferred diffusion mechanism on infinite terraces. TiN2 migration is initiated primarily by rotation about one of the N admolecule atoms anchored at an epitaxial site. TiN admolecules descend from islands by direct hopping over edges and by edge exchange reactions, while TiN2 trimers descend exclusively by hopping. In contrast, TiN3 admolecules are essentially stationary and serve as initiators for local island growth. Ti adatoms are the fastest diffusing species on infinite TiN(001) terraces, but on small TiN/TiN(001) islands, TiN dimers provide more efficient mass transport. The overall results reveal the effect of the N/Ti precursor flux ratio on TiN(001) surface morphological evolution and growth modes.

    sted, utgiver, år, opplag, sider
    Elsevier, 2015
    Emneord
    Titanium nitride; Molecular dynamics; Film growth simulations; TiNx admolecule diffusion on TiN/TiN(001) islands; TiNx admolecule descent from TiN/TiN(001) islands
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-111948 (URN)10.1016/j.tsf.2015.05.013 (DOI)000360320000023 ()
    Tilgjengelig fra: 2014-11-11 Laget: 2014-11-11 Sist oppdatert: 2019-06-28
    5. Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth
    Åpne denne publikasjonen i ny fane eller vindu >>Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth
    Vise andre…
    2016 (engelsk)Inngår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 34, nr 4, s. 041509-1-041509-9Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Large-scale classical molecular dynamics simulations of epitaxial TiN/TiN(001) thin film growth at 1200K are carried out using incident flux ratios N/Ti -1, 2, and 4. The films are analyzed as a function of composition, island size distribution, island edge orientation, and vacancy formation. Results show that N/Ti-1 films are globally understoichiometric with dispersed Ti-rich surface regions which serve as traps to nucleate 111-oriented islands, leading to local epitaxial breakdown. Films grown with N/Ti=2 are approximately stoichiometric and the growth mode is closer to layer-by-layer, while N/Ti-4 films are stoichiometric with N-rich surfaces. As N/Ti is increased from 1 to 4, island edges are increasingly polar, i. e., 110-oriented, and N-terminated to accommodate the excess N flux, some of which is lost by reflection of incident N atoms. N vacancies are produced in the surface layer during film deposition with N/Ti-1 due to the formation and subsequent desorption of N-2 molecules composed of a N adatom and a N surface atom, as well as itinerant Ti adatoms pulling up N surface atoms. The N vacancy concentration is significantly reduced as N/Ti is increased to 2; with N/Ti-4, Ti vacancies dominate. Overall, our results show that an insufficient N/Ti ratio leads to surface roughening via nucleation of small dispersed 111 islands, whereas high N/Ti ratios result in surface roughening due to more rapid upper-layer nucleation and mound formation. The growth mode of N/Ti-2 films, which have smoother surfaces, is closer to layer-by-layer. (C) 2016 American Vacuum Society.

    sted, utgiver, år, opplag, sider
    AMER INST PHYSICS, 2016
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-130405 (URN)10.1116/1.4953404 (DOI)000379588000027 ()
    Merknad

    Funding Agencies|Swedish Research Council (VR) Linkoping Linnaeus Initiative LiLi-NFM [2008-6572, 2009-00971, 2013-4018, 2014-5790]; Swedish Government Strategic Research Area Grant in Materials Science on Advanced Functional Materials; Knut and Alice Wallenberg Foundation (Isotope Project)

    Tilgjengelig fra: 2016-08-15 Laget: 2016-08-05 Sist oppdatert: 2019-06-28
    Fulltekst (pdf)
    Growth and Mechanical Properties of Transition Metal Nitrides and Carbides
    Download (pdf)
    omslag
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    presentationsbild
  • 274.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Sangiovanni, Davide G.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Effects of atomic ordering on the elastic properties of TiN- and VN-based ternary alloys2014Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 571, nr Part 1, s. 145-153Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Improved toughness is one of the central goals in the development of wear-resistant coatings. Previous studies of toughness in transition metal nitride alloys have addressed the effects of chemical composition in these compounds. Herein, we use density functional theory to study the effects of various metal sublattice configurations, ranging from fully ordered to fully disordered, on the mechanical properties of VM2N and TiM2N (M2 = W, Mo) ternary alloys. Results show that all alloys display high incompressibility, indicating strong M-N bonds. Disordered atomic arrangements yield lower values of bulk moduli and C11 elastic constants, as well as higher values of C44 elastic constants, compared to ordered structures. We attribute the low C44 values of ordered structures to the formation of fully-bonding states perpendicular to the applied stress. We find that the ductility of these compounds is primarily an effect of the increased valence electron concentration induced upon alloying.

    Fulltekst (pdf)
    fulltext
  • 275.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan. Department of Materials Science and the Fredrick Seitz Materials Research Laboratory, University of Illinois, Urbana, USA.
    Greene, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan. Department of Materials Science and the Fredrick Seitz Materials Research Laboratory, University of Illinois, Urbana, USA.
    Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands2014Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 558, s. 37-46Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We use classical molecular dynamics and the modified embedded atom method to determine residence times and descent pathways of Ti and N adatoms on square, single-atom-high, TiN islands on TiN(001). Simulations are carried out at 1000 K, which is within the optimal range for TiN(001) epitaxial growth. Results show that the frequency of descent events, and overall adatom residence times, depend strongly on both the TiN(001) diffusion barrier for each species as well as the adatom island-edge location immediately prior to descent. Ti adatoms, with a low diffusion barrier, rapidly move toward the island periphery, via funneling, where they diffuse along upper island edges. The primary descent mechanism for Ti adatoms is via push-out/exchange with Ti island-edge atoms, a process in which the adatom replaces an island edge atom by moving down while pushing the edge atom out onto the terrace to occupy an epitaxial position along the island edge. Double push-out events are also observed for Ti adatoms descending at N corner positions. N adatoms, with a considerably higher diffusion barrier on TiN(001), require much longer times to reach island edges and, consequently, have significantly longer residence times. N adatoms are found to descend onto the terrace by direct hopping over island edges and corner atoms, as well as by concerted push-out/exchange with N atoms adjacent to Ti corners. For both adspecies, we also observe several complex adatom/island interactions, before and after descent onto the terrace, including two instances of Ti islandatom ascent onto the island surface.

    Fulltekst (pdf)
    Ti and N adatom descent pathways to the terrace from atop two-dimensional TiN/TiN(001) islands
  • 276.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan. Department of Materials Science and the Fredrick Seitz Materials Research Laboratory, University of Illinois, Urbana, USA.
    Greene, Joseph
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan. Department of Materials Science and the Fredrick Seitz Materials Research Laboratory, University of Illinois, Urbana, USA.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    The dynamics of TiNx (x = 1 – 3) admolecule interlayer and intralayer transport on TiN/TiN(001) islands2015Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 589, s. 133-144Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    It has been shown both experimentally and by density functional theory calculations that the primary diffusing species during the epitaxial growth of TiN/TiN(001) are Ti and N adatoms together with TiNx complexes (x = 1, 2, 3), in which the dominant N-containing admolecule species depends upon the incident N/Ti flux ratio. Here, we employ classical molecular dynamics (CMD) simulations to probe the dynamics of TiNx (x = 1–3) admolecules on 8 × 8 atom square, single-atom-high TiN islands on TiN(001), as well as pathways for descent over island edges. The simulations are carried out at 1000 K, a reasonable epitaxial growth temperature. We find that despite their lower mobility on infinite TiN(001) terraces, both TiN and TiN2 admolecules funnel toward descending steps and are incorporated into island edges more rapidly than Ti adatoms. On islands, TiN diffuses primarily via concerted translations, but rotation is the preferred diffusion mechanism on infinite terraces. TiN2 migration is initiated primarily by rotation about one of the N admolecule atoms anchored at an epitaxial site. TiN admolecules descend from islands by direct hopping over edges and by edge exchange reactions, while TiN2 trimers descend exclusively by hopping. In contrast, TiN3 admolecules are essentially stationary and serve as initiators for local island growth. Ti adatoms are the fastest diffusing species on infinite TiN(001) terraces, but on small TiN/TiN(001) islands, TiN dimers provide more efficient mass transport. The overall results reveal the effect of the N/Ti precursor flux ratio on TiN(001) surface morphological evolution and growth modes.

  • 277.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten. Ruhr University of Bochum, Germany.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. University of Illinois, IL 61801 USA.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Effects of incident N atom kinetic energy on TiN/TiN(001) film growth dynamics: A molecular dynamics investigation2017Inngår i: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 121, nr 2, artikkel-id 025302Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Large-scale classical molecular dynamics simulations of epitaxial TiN/TiN(001) thin film growth at 1200 K, a temperature within the optimal range for epitaxial TiN growth, with an incident N-to-Ti flux ratio of four, are carried out using incident N energies E-N = 2 and 10 eV and incident Ti energy E-Ti = 2 eV. To further highlight the effect of E-N, we grow a bilayer film with E-N = 2 eV initially and then switch to E-N = 10 eV. As-deposited layers are analyzed as a function of composition, island-size distribution, island-edge orientation, and vacancy formation. Results show that growth with E-N = 2 eV results in films that are globally overstoichiometric with islands bounded by N-terminated polar 110 edges, whereas films grown with E-N = 10 eV are flatter and closer to stoichiometric. However, E-N = 10 eV layers exhibit local N deficiency leading to the formation of isolated 111-oriented islands. Films grown by changing the incident energy from 2 to 10 eV during growth are more compact than those grown entirely with E-N = 2 eV and exhibit greatly reduced concentrations of upper-layer adatoms, admolecules, and small clusters. Islands with 110 edges formed during growth with E-N = 2 eV transform to islands with 100 edges as E-N is switched to 10 eV. Published by AIP Publishing.

    Fulltekst (pdf)
    fulltext
  • 278.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten. Ruhr Univ Bochum, Germany.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Elastic properties and plastic deformation of TiC- and VC-based alloys2018Inngår i: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 144, s. 376-385Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Transition-metal (TM) carbides are an important class of hard, protective coating materials; however, their brittleness often limits potential applications. We use density functional theory to investigate the possibility of improving ductility by forming pseudobinary cubic (MMC)-M-1-C-2 alloys, for which M-1 = Ti or V and M-2 = W or Mo. The alloying elements are chosen based on previous results showing improved ductility of the corresponding pseudobinary nitride alloys with respect to their parent compounds. While commonly-used empirical criteria do not indicate enhanced ductility in the carbide alloys, calculated stress/strain curves along known slip systems, supported by electronic structure analyses, indicate ductile behavior for VMoC. As VMoC layers are sheared along the 1 (1) over bar0 direction on {111} planes, the stress initially increases linearly up to a yield point where the accumulated stress is partially dissipated. With further increase in strain, the stress increases again until fracture occurs. A similar mechanical behavior is observed for the corresponding TM nitride VMoN, known to be a ductile ceramic material [1]. Thus, our results show that VMoC is a TM carbide alloy which may be both hard and ductile, i.e. tough. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

    Fulltekst (pdf)
    fulltext
  • 279.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. University of Illinois, USA.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth2016Inngår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 34, nr 4, s. 041509-1-041509-9Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Large-scale classical molecular dynamics simulations of epitaxial TiN/TiN(001) thin film growth at 1200K are carried out using incident flux ratios N/Ti -1, 2, and 4. The films are analyzed as a function of composition, island size distribution, island edge orientation, and vacancy formation. Results show that N/Ti-1 films are globally understoichiometric with dispersed Ti-rich surface regions which serve as traps to nucleate 111-oriented islands, leading to local epitaxial breakdown. Films grown with N/Ti=2 are approximately stoichiometric and the growth mode is closer to layer-by-layer, while N/Ti-4 films are stoichiometric with N-rich surfaces. As N/Ti is increased from 1 to 4, island edges are increasingly polar, i. e., 110-oriented, and N-terminated to accommodate the excess N flux, some of which is lost by reflection of incident N atoms. N vacancies are produced in the surface layer during film deposition with N/Ti-1 due to the formation and subsequent desorption of N-2 molecules composed of a N adatom and a N surface atom, as well as itinerant Ti adatoms pulling up N surface atoms. The N vacancy concentration is significantly reduced as N/Ti is increased to 2; with N/Ti-4, Ti vacancies dominate. Overall, our results show that an insufficient N/Ti ratio leads to surface roughening via nucleation of small dispersed 111 islands, whereas high N/Ti ratios result in surface roughening due to more rapid upper-layer nucleation and mound formation. The growth mode of N/Ti-2 films, which have smoother surfaces, is closer to layer-by-layer. (C) 2016 American Vacuum Society.

    Fulltekst (pdf)
    fulltext
  • 280.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Orebro Univ, Sweden.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten. Ruhr Univ Bochum, Germany.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA; Natl Taiwan Univ Sci and Technol, Taiwan.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    TiN film growth on misoriented TiN grains with simultaneous low-energy bombardment: Restructuring leading to epitaxy2019Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, artikkel-id 137380Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We perform large-scale molecular dynamics simulations of TiN deposition at 1200 K on TiN substrates consisting of under-stoichiometric (N/Ti = 0.86) misoriented grains. The energy of incoming Ti atoms is 2 eV and that of incoming N atoms is 10 eV. The simulations show that misoriented grains are reoriented during the early stages of growth, after which the film grows 001 epitaxially and is nearly stoichiometric. The grain reorientation coincides with an increase in film N/Ti ratio. As the grains reorient, additional nitrogen can no longer be accommodated, and the film composition becomes stoichiometric as the overlayer grows epitaxially.

    Fulltekst tilgjengelig fra 2021-06-20 11:38
  • 281.
    Edström, Daniel
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Orebro Univ, Sweden.
    Sangiovanni, Davide
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Teoretisk Fysik. Linköpings universitet, Tekniska fakulteten. Ruhr Univ Bochum, Germany.
    Landälv, Ludvig
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Sandvik Coromant AB, Sweden.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Greene, Joseph E
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA; Univ Illinois, IL 61801 USA; Natl Taiwan Univ Sci and Technol, Taiwan.
    Petrov, Ivan
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Univ Illinois, IL 61801 USA; Univ Illinois, IL 61801 USA.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Chirita, Valeriu
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Mechanical properties of VMoNO as a function of oxygen concentration: Toward development of hard and tough refractory oxynitrides2019Inngår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 37, nr 6, artikkel-id 061508Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Improved toughness is a central goal in the development of wear-resistant refractory ceramic coatings. Extensive theoretical and experimental research has revealed that NaCl-structure VMoN alloys exhibit surprisingly high ductility combined with high hardness and toughness. However, during operation, protective coatings inevitably oxidize, a problem that may compromise material properties and performance. Here, the authors explore the role of oxidation in altering VMoN properties. Density functional theory and theoretical intrinsic hardness models are used to investigate the mechanical behavior of cubic V0.5Mo0.5N1-xOx solid solutions as a function of the oxygen concentration x. Elastic constant and intrinsic hardness calculations show that oxidation does not degrade the mechanical properties of V0.5Mo0.5N. Electronic structure analyses indicate that the presence of oxygen reduces the covalent bond character, which slightly lowers the alloy strength and intrinsic hardness. Nevertheless, the character of metallic d-d states, which are crucial for allowing plastic deformation and enhancing toughness, remains unaffected. Overall, the authors results suggest that VMoNO oxynitrides, with oxygen concentrations as high as 50%, possess high intrinsic hardness, while still being ductile. Published by the AVS.

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    fulltext
  • 282.
    Ehiasarian, A. P.
    et al.
    Sheffield Hallam University, Sheffield, UK.
    Hovsepian, P. Eh.
    Sheffield Hallam University, Sheffield, UK.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Helmersson, Ulf
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Plasma och beläggningsfysik. Linköpings universitet, Tekniska högskolan.
    Comparison of microstructure and mechanical properties of chromium nitride-based coatings deposited by high power impulse magnetron sputtering and by the combined steered cathodic arc/unbalanced magnetron technique2004Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 457, nr 2, s. 270-277Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Sliding, abrasive, and impact wear tests were performed on chromium nitride (CrN)-based coatings deposited on mirror-polished M2 high speed steel substrates by the novel high power impulse magnetron sputtering (HIPIMS) utilising high peak cathode powers densities of 3000 W cm−2. The coatings were compared to single layer CrN and multilayer superlattice CrN/NbN coatings deposited by the arc bond sputtering (ABS) technique designed to improve the coating substrate adhesion by a combined steered cathodic arc/unbalanced magnetron (UBM) sputtering process. The substrates were metal ion etched using non-reactive HIPIMS or steered cathodic arc at a substrate bias voltage of −1200 V. Subsequently a 2- to 3-μm thick CrN or CrN/NbN coating was deposited by reactive HIPIMS or UBM. No bias was used during the HIPIMS deposition, while the bias during UBM growth was in the range 75–100 V. The ion saturation current measured by a flat electrostatic probe reached values of 50 mA cm−2 peak for HIPIMS and 1 mA cm−2 continuous during UBM deposition. The microstructure of the HIPIMS coatings observed by transmission electron microscopy was fully dense in contrast to the voided columnar structure observed in conventional UBM sputtered CrN and CrN/NbN. The sliding wear coefficients of the HIPIMS CrN films of 2.3×10−16 m3 N−1 m−1 were lower by a factor of 4 and the roughness of the wear track was significantly reduced compared to the UBM-deposited CrN. The abrasive wear coefficient of the HIPIMS coating was 2.2×10−13 m3 N−1 m−1 representing an improvement by a factor of 3 over UBM deposited CrN and a wear resistance comparable to that of the superlattice CrN/NbN. The adhesion of the HIPIMS deposited CrN was comparable to state-of-the-art ABS technology.

  • 283.
    Ehiasarian, A.P.
    et al.
    Materials Res. Inst., Sheffield-Hallam Univ., Howard St., Sheffield S1 1WB, United Kingdom.
    Munz, W.-D.
    Münz, W.-D., Materials Res. Inst., Sheffield-Hallam Univ., Howard St., Sheffield S1 1WB, United Kingdom.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Helmersson, Ulf
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Plasma och beläggningsfysik. Linköpings universitet, Tekniska högskolan.
    Petrov, I.
    Frederick Seitz Mat. Res. Lab., University of Illinois, 104 S. Goodwin Avenue, Urbana, IL 61801, United States.
    High power pulsed magnetron sputtered CrNx films2003Inngår i: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 163-164, s. 267-272Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Microstructure and macroscopic properties of droplet free CrN films deposited by the recently developed high power pulsed magnetron sputtering (HIPIMS) technique are presented. Magnetron glow discharges with peak power densities reaching 3000 W cm-2 were used to sputter Cr targets in both inert and reactive gas atmospheres. The flux arriving at the substrates consisted of neutrals and ions (approx. 70/30) of the sputtered metal and working gas atoms (Ar) with significantly elevated degree of ionization compared to conventional magnetron sputtering. The high-speed steel and stainless steel substrates were metal ion etched using a bias voltage of -1200 V prior to the deposition of CrN films. The film-to-substrate interfaces, observed by scanning transmission electron microscope cross-sections, were clean and contained no phases besides the film and substrate ones or recrystallized regions. CrN films were grown by reactive HIPIMS at floating potential reaching -160 V. Initial nucleation grains were large compared to conventional magnetron sputtered films, indicating a high adatom mobility in the present case. The films exhibited polycrystalline columnar growth morphology with evidence of renucleation. No intercolumnar voids were observed and the corrosion behavior of the film was superior to arc deposited CrNx. A high density of lattice defects was observed throughout the films due to the high floating potential. A residual compressive stress of 3 GPa and a hardness value of HK0.025=2600 were measured. A low friction coefficient of 0.4 and low wear rates against Al2O3 in these films are explained by the absence of droplets and voids known to contribute to extensive debris generation.

  • 284.
    Ehiasarian, A.P.
    et al.
    Materials Research Institute, Sheffield Hallam University, Howard Street, Sheffield S1 1WB, United Kingdom.
    New, R.
    Materials Research Institute, Sheffield Hallam University, Howard Street, Sheffield S1 1WB, United Kingdom.
    Munz, W.-D.
    Münz, W.-D., Materials Research Institute, Sheffield Hallam University, Howard Street, Sheffield S1 1WB, United Kingdom.
    Hultman, Lars
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Helmersson, Ulf
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Plasma och beläggningsfysik.
    Kouznetsov, V.
    Chemfilt R and D AB, Kumla Gårdsvägen 28, SE-145 63 Norsborg, Sweden.
    Influence of high power densities on the composition of pulsed magnetron plasmas2002Inngår i: Vacuum, ISSN 0042-207X, E-ISSN 1879-2715, Vol. 65, nr 2, s. 147-154Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The application of high power pulses with peak voltage of -2 kV and peak power density of 3 kWcm-2 to magnetron plasma sources is a new development in sputtering technology. The high power is applied to ordinary magnetron cathodes in pulses with short duration of typically some tens of microseconds in order to avoid a glow-to-arc transition. High plasma densities are obtained which have been predicted to initiate self-sputtering. This study concerns Cr and Ti cathodes and presents evidence of multiply charged metal ions as well as of Ar ions in the dense plasma region of the high power pulsed magnetron discharge and a substantially increased metal ion production compared to continuous magnetron sputtering. The average degree of ionisation of the Cr metal deposition flux generated in the plasma source was 30% at a distance of 50 cm. Deposition rates were maintained comparable to conventional magnetron sputtering due to the low pressure of operation of the pulsed discharge - typically 0.4 Pa (3mTorr) of Ar pressure was used. Observations of the current-voltage characteristics of the discharge confirmed two modes of operation of the plasma source representing conventional pulsed sputtering at low powers (0.2 kWcm-2) and pulsed self-sputtering at higher powers (3 kWcm-2). The optical emission from the various species in the plasma showed an increase in metal ion-to-neutral ratio with increasing power. The time evolution within a pulse of the optical emission from Ar0, Cr0, Cr1+, and Cr2+ showed that at low powers Cr and Ar excitation develops simultaneously. However, at higher powers a distinct transition from Ar to Cr plasma within the duration of the pulse was observed. The time evolution of the discharge at higher powers is discussed. © 2002 Elsevier Science Ltd. All rights reserved.

  • 285. Bestill onlineKjøp publikasjonen >>
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Multifunctional nanostructured Ti-Si-C thin films2007Doktoravhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    In this Thesis, I have investigated multifunctional nanostructured Ti-Si-C thin films synthesized by magnetron sputtering in the substrate-temperature range from room temperature to 900 °C. The studies cover high-temperature growth of Ti3SiC2 and Ti4SiC3, low-temperature growth of Ti-Si-C nanocomposites, and Ti-Si-C-based multi¬layers, as well as their electrical, mechanical, and thermal-stability properties. Ti3SiC2 and Ti4SiC3 were synthesized homoepitaxially onto bulk Ti3SiC2 from individual sputtering targets and heteroepitaxially onto Al2O3(0001) substrates from a Ti3SiC2 target at substrate temperatures of 700 – 900 °C. In the latter case, the film composition exhibits excess C compared to the nominal target composition due to differences between species in angular and energy distribution and gas-phase scattering processes. Ti buffering is shown to compensate for this excess C. The electrical-resistivity values of Ti3SiC2 and Ti4SiC3 thin films were measured to 21-32 uOhmcm and ~50 uOhmcm, respectively. The good conductivity is because the presence of Si layers enhances the relative strength of the metallic Ti-Ti bonds. The higher density of Si layers in Ti3SiC2 than in Ti4SiC3 explains why Ti3SiC2 is the better conductor of the two. Ti3SiC2 thin films are shown to be thermally stable up to 1000 – 1100 °C. Annealing at higher temperature results in decomposition of Ti3SiC2 by Si out-diffusion to the surface with subsequent evaporation. Above 1200 °C, TiCx layers recrystallized. Nanocomposites comprising nanocrystalline (nc-)TiC in an amorphous (a-)SiC matrix phase were deposited at substrate temperatures in the range 100 – 300 °C. These nc-TiC/a-SiC films exhibit low contact resistance in electrical contacts and a ductile deformation behavior due to rotation and gliding of nc-TiC grains in the matrix. The ductile mechanical properties of nc-TiC/a-SiC are actually more similar to those of Ti3SiC2, which is very ductile due to kinking and delamination, than to those of the brittle TiC. Epitaxial TiC/SiC multilayers deposited at ~550 °C were shown to contain cubic SiC layers up to a thickness of ~2 nm. Thicker SiC layers gives a-SiC due to the corresponding increase in interfacial strain energy leading to loss of coherent-layer growth. Nanoindentation of epitaxial Ti3SiC2/TiC0.67 nanolaminates showed inhibition of kink-band formation in Ti3SiC2, as the lamination with the less ductile TiC effectively hindered this mechanism.

    Delarbeid
    1. Homoepitaxial growth of Ti-Si-C MAX-phase thin films on bulk Ti3SiC2 substrates
    Åpne denne publikasjonen i ny fane eller vindu >>Homoepitaxial growth of Ti-Si-C MAX-phase thin films on bulk Ti3SiC2 substrates
    Vise andre…
    2007 (engelsk)Inngår i: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 304, nr 1, s. 264-269Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Ti3SiC2 films were grown on polycrystalline Ti3SiC2 bulk substrates using DC magnetron sputtering. The crystallographic orientation of the film grains is shown to be determined by the respective substrate-grain orientation through homoepitaxial MAX-phase growth. For a film composition close to Ti:Si:C=3:1:2, the films predominantly consist of MAX phases, both Ti3SiC2 and the metastable Ti4SiC3. Lower Si content resulted in growth of TiC with Ti3SiC2 as a minority phase. Thus, MAX-phase heterostructures with preferred crystallographic relationships can also be realized.

    Emneord
    Scanning electron microscopy, Transmission electron microscopy, X-ray diffraction, Physical vapor deposition processes, Carbides, Nanomaterials
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14471 (URN)10.1016/j.jcrysgro.2007.02.014 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    2. Magnetron sputtering of Ti3SiC2 thin films from a Ti3SiC2 compound target
    Åpne denne publikasjonen i ny fane eller vindu >>Magnetron sputtering of Ti3SiC2 thin films from a Ti3SiC2 compound target
    Vise andre…
    2007 (engelsk)Inngår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 25, nr 5, s. 1381-1388Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Ti3 Si C2 thin films were synthesized by magnetron sputtering from Ti3 Si C2 and Ti targets. Sputtering from a Ti3 Si C2 target alone resulted in films with a C content of ∼50 at. % or more, due to gas-phase scattering processes and differences in angular and energy distributions between species ejected from the target. Addition of Ti to the deposition flux from a Ti3 Si C2 target is shown to bind the excess C in Ti Cx intergrown with Ti3 Si C2 and Ti4 Si C3. Additionally, a substoichiometric Ti Cx buffer layer is shown to serve as a C sink and enable the growth of Ti3 Si C2.

    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14472 (URN)10.1116/1.2757178 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2019-01-28
    3. Structural, electrical, and mechanical properties of nc-TiC/a-SiC nanocomposite thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Structural, electrical, and mechanical properties of nc-TiC/a-SiC nanocomposite thin films
    Vise andre…
    2005 (engelsk)Inngår i: Journal of Vacuum Science & Technology B, ISSN 1071-1023, E-ISSN 1520-8567, Vol. 23, nr 6, s. 2486-2495Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We have synthesized Ti–Si–C nanocomposite thin films by dc magnetron sputtering from a Ti3SiC2 compound target in an Ar discharge on Si(100), Al2O3(0001), and Al substrates at temperatures from room temperature to 300  °C. Electron microscopy, x-ray diffraction, and x-ray photoelectron spectroscopy showed that the films consisted of nanocrystalline (nc-) TiC and amorphous (a-) SiC, with the possible presence of a small amount of noncarbidic C. The growth mode was columnar, yielding a nodular film-surface morphology. Mechanically, the films exhibited a remarkable ductile behavior. Their nanoindentation hardness and E-modulus values were 20 and 290  GPa, respectively. The electrical resistivity was 330  µ  cm for optimal Ar pressure (4  mTorr) and substrate temperature (300  °C). The resulting nc-TiC/a-SiC films performed well as electrical contact material. These films' electrical-contact resistance against Ag was remarkably low, 6  µ at a contact force of 800  N compared to 3.2  µ for Ag against Ag. The chemical stability of the nc-TiC/a-SiC films was excellent, as shown by a Battelle flowing mixed corrosive-gas test, with no N, Cl, or S contaminants entering the bulk of the films.

    Emneord
    titanium compounds, silicon compounds, wide band gap semiconductors, nanocomposites, amorphous semiconductors, thin films, sputter deposition, electron microscopy, X-ray diffraction, X-ray photoelectron spectra, surface morphology, ductility, indentation, hardness, electrical resistivity, electrical contacts, contact resistance
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14473 (URN)10.1116/1.2131081 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    4. Microstructure and electrical properties of Ti-Si-C-Ag nanocomposite thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Microstructure and electrical properties of Ti-Si-C-Ag nanocomposite thin films
    Vise andre…
    2007 (engelsk)Inngår i: Surface and Coatings Technology, ISSN 0257-8972, Vol. 201, nr 14, s. 6465-6469Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Ti–Si–C–Ag nanocomposite coatings consisting of nanocrystalline TiC in an amorphous Si matrix with segregated Ag were deposited by dual magnetron sputtering from Ti3SiC2 and Ag targets. As evidenced by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy, for Ag contents below 10 at.%, the Ag forms 10 nm large crystallites that are homogeneously distributed in the films. For higher Ag contents, coalescence during growth results in the formation of >  100 nm Ag islands on the film surface. The electrical resistivity of the coatings was measured in a four-point-probe setup, and ranged from 340 μΩcm (for Ti–Si–C coatings without Ag) to 40 μΩcm (for high Ag content).

    Emneord
    Sputtering, Titanium carbide, Silver; Resistivity, X-ray diffraction, Electron microscopy
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14474 (URN)10.1016/j.surfcoat.2006.12.016 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2016-08-31
    5. High-power impulse magnetron sputtering of Ti-Si-C thin films from a Ti3SiC2 compound target
    Åpne denne publikasjonen i ny fane eller vindu >>High-power impulse magnetron sputtering of Ti-Si-C thin films from a Ti3SiC2 compound target
    Vise andre…
    2006 (engelsk)Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 515, nr 4, s. 1731-1736Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We have deposited Ti-Si-C thin films using high-power impulse magnetron sputtering (HIPIMS) from a Ti3SiC2 compound target. The as-deposited films were composite materials with TiC as the main crystalline constituent. X-ray diffraction and photoelectron spectroscopy indicated that they also contained amorphous SiC, and for films deposited on inclined substrates, crystalline Ti5Si3Cx. The film morphology was dense and flat, while films deposited with dc magnetron sputtering under comparable conditions were rough and porous. Due to the high degree of ionization of the sputtered species obtained in HIPIMS, it is possible to control the film composition, in particular the C content, by tuning the substrate inclination angle, the Ar process pressure, and the bias voltage.

    sted, utgiver, år, opplag, sider
    Institutionen för fysik, kemi och biologi, 2006
    Emneord
    HIPIMS, Titanium silicon carbide
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-10437 (URN)10.1016/j.tsf.2006.06.015 (DOI)000242931900079 ()
    Merknad

    Original publication: J. Alami, P. Eklund, J. Emmerlich, O. Wilhelmsson, U. Jansson, H. Högberg, L. Hultman, & U. Helmersson, High-power impulse magnetron sputtering of Ti-Si-C thin films from a Ti3SiC2 compound target, 2006, Thin Solid Films, (515), 4, 1731-1736. http://dx.doi.org/10.1016/j.tsf.2006.06.015. Copyright: Elsevier B.V., http://www.elsevier.com/.

    Tilgjengelig fra: 2007-12-14 Laget: 2007-12-14 Sist oppdatert: 2017-12-14bibliografisk kontrollert
    6. Electrical resistivity of Tin+1ACn (A = Si, Ge, Sn, n = 1–3) thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Electrical resistivity of Tin+1ACn (A = Si, Ge, Sn, n = 1–3) thin films
    Vise andre…
    2007 (engelsk)Inngår i: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 22, nr 8, s. 2279-2287Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We have investigated the electrical resistivity of (0001)-oriented Tin+1ACn (A = Si, Ge, Sn, n = 1–3) thin films deposited by magnetron sputtering onto Al2O3(0001) substrates at temperatures ranging from 500 to 950 °C. Four-point-probe measurements show that all films are good conductors with resistivity values of ∼21–51 μΩ cm for Ti–Si–C films, ∼15–50 μΩ cm for Ti–Ge–C films, and ∼46 μΩ cm for Ti2SnC. We find a general trend of decreasing resistivity with decreasing n for the Ti–Si–C and Ti–Ge–C systems due to the increased metallicity obtained with increasing density of A-element layers. We also show that crystalline quality and competitive growth of impurity phases affect the measured resistivity values. The effect of a given impurity phase largely depends on its location in the sample. Specifically, a TiCx layer in the center of the film constricts the current flow and results in an increased measured resistivity value. However, TiCx transition or seed layers at the substrate–film interface as well as surface segregation of Ge and Ti5Ge3Cx (for Ti–Ge–C) have only little effect on the measured resistivity values. For the Ti–Sn–C system, the resistivity is mainly influenced by the segregation of metallic Sn, yielding a wide spread in the measured values ranging from 20–46 μΩ cm, in the order of increased film purity.

    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14476 (URN)10.1557/jmr.2007.0284 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    7. Photoemission studies of Ti3SiC2 and nanocrystalline-TiC/amorphous-SiC nanocomposite thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Photoemission studies of Ti3SiC2 and nanocrystalline-TiC/amorphous-SiC nanocomposite thin films
    Vise andre…
    2006 (engelsk)Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 74, nr 4, s. 045417-Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Photoemissionstudies using synchrotron radiation have been performed on epitaxial Ti3SiC2(0001)and compound nanocrystalline (nc-)TiC/amorphous (a-)SiC thin films deposited by magnetronsputtering. As-introduced samples were found to be covered by surfaceoxides, SiOx and TiOx. These oxides could be removed byin-situ annealing to ~1000  °C. For as-annealed Ti3SiC2(0001), surface Si wasobserved and interpreted as originating from decomposition of Ti3SiC2 throughSi out-diffusion. For nc-TiC/a-SiC annealed in situ to ~1000  °C, thesurface instead exhibited a dominant contribution from graphitic carbon, alsowith the presence of Si, due to C and Siout-diffusion from the a-SiC compound or from grain boundaries.

    Emneord
    titanium compounds, silicon compounds, wide band gap semiconductors, nanocomposites, amorphous state, epitaxial layers, sputtered coatings, photoelectron spectra, surface composition, annealing, decomposition, surface diffusion, grain boundaries
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14477 (URN)10.1103/PhysRevB.74.045417 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    8. Thermal stability of Ti3SiC2 thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Thermal stability of Ti3SiC2 thin films
    Vise andre…
    2007 (engelsk)Inngår i: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 55, nr 4, s. 1479-1488Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    The thermal stability of Ti3SiC2(0 0 0 1) thin films is studied by in situ X-ray diffraction analysis during vacuum furnace annealing in combination with X-ray photoelectron spectroscopy, transmission electron microscopy and scanning transmission electron microscopy with energy dispersive X-ray analysis. The films are found to be stable during annealing at temperatures up to ∼1000 °C for 25 h. Annealing at 1100–1200 °C results in the rapid decomposition of Ti3SiC2 by Si out-diffusion along the basal planes via domain boundaries to the free surface with subsequent evaporation. As a consequence, the material shrinks by the relaxation of the Ti3C2 slabs and, it is proposed, by an in-diffusion of O into the empty Si-mirror planes. The phase transformation process is followed by the detwinning of the as-relaxed Ti3C2 slabs into (1 1 1)-oriented TiC0.67 layers, which begin recrystallizing at 1300 °C. Ab initio calculations are provided supporting the presented decomposition mechanisms.

    Emneord
    Ti3SiC2 thin films, Phase transformations, X-ray diffraction, Transmission electron microscopy, Ab initio electron theory
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14478 (URN)10.1016/j.actamat.2006.10.010 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    9. Epitaxial TiC/SiC multilayers
    Åpne denne publikasjonen i ny fane eller vindu >>Epitaxial TiC/SiC multilayers
    2007 (engelsk)Inngår i: Physica status solidi (RRL): rapid research letters, ISSN 1862-6254, Vol. 1, nr 3, s. 113-115Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    Epitaxial TiC/SiC multilayers were grown by magnetron sputtering at a substrate temperature of 550 °C, where SiC is normally amorphous. The epitaxial TiC template induced growth of cubic SiC up to a thickness of ~2 nm. Thicker SiC layers result in a direct transition to growth of the metastable amorphous SiC followed by renucleation of nanocrystalline TiC layers

    Emneord
    61.10.Nz, 68.37.Lp, 68.55.-a, 81.05.Je, 81.07.Bk, 81.15.Kk
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14479 (URN)10.1002/pssr.200701027 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2016-08-31
    10. Intrusion-type deformation in epitaxial Ti3SiC2/TiCx nanolaminates
    Åpne denne publikasjonen i ny fane eller vindu >>Intrusion-type deformation in epitaxial Ti3SiC2/TiCx nanolaminates
    Vise andre…
    2007 (engelsk)Inngår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 91, nr 12, s. 123124-Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We investigate the deformation of epitaxial Ti3 Si C2 (0001) Ti Cx (111) (x∼0.67) nanolaminates deposited by magnetron sputtering. Nanoindentation and transmission electron microscopy show that the Ti3 Si C2 layers deform via basal plane slip and intrusion into the TiC layers, suppressing kink-band and pile-up deformation behaviors analogous with monolithic Ti3 Si C2. This remarkable response to indentation is due to persistent slip in the TiC layers and prevention of gross slip throughout the nanolaminate by the interleaving Ti3 Si C2 layers. Hardness and Young's modulus were measured as ∼15 and ∼240 GPa, respectively.

    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14480 (URN)10.1063/1.2789710 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    Fulltekst (pdf)
    FULLTEXT01
  • 286.
    Eklund, Per
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Novel ceramic Ti-Si-C nanocomposite coatings for electrical contact applications2007Inngår i: Surface Engineering, ISSN 0267-0844, E-ISSN 1743-2944, Vol. 23, nr 6, s. 406-411Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Nanocomposite coatings consisting of TiC nanocrystallties embedded in an amorphous SiC matrix (nc-TiC/a-SiC) have been produced using magnetron sputtering from a Ti3SiC2 target onto electrical contact components at a temperature below 300°C. The as deposited nanocomposites were employed as electrical contact materials. Results show that when contacted against Ag, they exhibit somewhat higher contact resistance than Ag against Ag, while preventing welding and potentially minimising wear. This is due to an adequate resistivity coupled with beneficial mechanical properties. The design of the nanoscale materials produced coatings with a relatively high nanoindentation hardness of 20 GPa, but with a ductile deformation behaviour. The ductility is explained by rotation and gliding of nc-TiC grains in the matrix. Therefore, the nanocomposite material can minimise problems with wear and welding while retaining low contact resistance. Consequently, this type of novel coating with appropriate mechanical properties offers a solution to problems in many electrical applications. Moreover, the use of physically vapour deposited coatings is promoted in some previously relatively unexploited areas of electrical contact applications. © 2007 Institute of Materials, Minerals and Mining.

  • 287.
    Eklund, Per
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Thin film growth and characterization of Ti-(Si,Ge)-C compounds2005Licentiatavhandling, med artikler (Annet vitenskapelig)
    Abstract [en]

    This thesis describes growth by de magnetron sputtering of thin film Ti-Si-C and Ti-Ge-C materials, with an emphasis on the deposition conditions for nanocomposite and epitaxial growth at low and high temperature processing, respectively. In the Ti-Si-C materials system, I have synthesized nanocomposite thin films from a Ti3SiC2 compound target in an Ar discharge on Si(100), Al2O3(0001), and Al substrates at low substrate temperature (300 oC and below). The films consisted ofnanocrystalline (nc-) TiC and amorphous (a-) SiC, with possible presence of a small amount of non-carbidic C. Mechanically, the films exhibited a remarkable ductile behavior. Their nanoindentation hardness and E-modulus values were 20 GPa and 290 GPa, respectively. The electrical resistivity was 330 μΩcm for optimal Ar pressure (4 mTorr) and substrate temperature (300 °C). The resulting nc-TiC/a-SiC films performed well as electrical contact material, exhibiting contact resistances against Ag as low as 6μΩ at a contact force of 800 N compared to 3.2 μΩ for Ag against Ag. The chemical stability of the nc-TiC/a-SiC films was excellent, as shown by a Battelle flowing mixed corrosive gas test, with no N, Cl, or S contaminants entering the bulk of the films. Furthermore, the thesis describes epitaxial growth on Al2O3(0001) substrates of single- crystal thin films of the Mn+1AXn phases Ti2GeC and Ti3GeC2, and a new phase Ti4GeC3 as well as two new intergrown MAX structures, Ti5Ge2C3 and Ti7Ge2C5. X-ray diffraction shows that Ti-Ge-C MAX-phases require somewhat higher deposition temperatures (1000 oC) in a narrower window than their Ti-Si-C correspondences do, while there are similarities in phase distribution. Nanoindentation reveals a Young's modulus of 300 GPa, lower than that of Ti3SiC2, 320 GPa. Four point probe measurements yield resistivity values of 50-200 μΩcm. The lowest value is obtained for phase-pure Ti3GeC2(0001) films.

    Delarbeid
    1. Structural, electrical, and mechanical properties of nc-TiC/a-SiC nanocomposite thin films
    Åpne denne publikasjonen i ny fane eller vindu >>Structural, electrical, and mechanical properties of nc-TiC/a-SiC nanocomposite thin films
    Vise andre…
    2005 (engelsk)Inngår i: Journal of Vacuum Science & Technology B, ISSN 1071-1023, E-ISSN 1520-8567, Vol. 23, nr 6, s. 2486-2495Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We have synthesized Ti–Si–C nanocomposite thin films by dc magnetron sputtering from a Ti3SiC2 compound target in an Ar discharge on Si(100), Al2O3(0001), and Al substrates at temperatures from room temperature to 300  °C. Electron microscopy, x-ray diffraction, and x-ray photoelectron spectroscopy showed that the films consisted of nanocrystalline (nc-) TiC and amorphous (a-) SiC, with the possible presence of a small amount of noncarbidic C. The growth mode was columnar, yielding a nodular film-surface morphology. Mechanically, the films exhibited a remarkable ductile behavior. Their nanoindentation hardness and E-modulus values were 20 and 290  GPa, respectively. The electrical resistivity was 330  µ  cm for optimal Ar pressure (4  mTorr) and substrate temperature (300  °C). The resulting nc-TiC/a-SiC films performed well as electrical contact material. These films' electrical-contact resistance against Ag was remarkably low, 6  µ at a contact force of 800  N compared to 3.2  µ for Ag against Ag. The chemical stability of the nc-TiC/a-SiC films was excellent, as shown by a Battelle flowing mixed corrosive-gas test, with no N, Cl, or S contaminants entering the bulk of the films.

    Emneord
    titanium compounds, silicon compounds, wide band gap semiconductors, nanocomposites, amorphous semiconductors, thin films, sputter deposition, electron microscopy, X-ray diffraction, X-ray photoelectron spectra, surface morphology, ductility, indentation, hardness, electrical resistivity, electrical contacts, contact resistance
    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-14473 (URN)10.1116/1.2131081 (DOI)
    Tilgjengelig fra: 2007-05-14 Laget: 2007-05-14 Sist oppdatert: 2017-12-13
    2. Epitaxial Ti2GeC, Ti3GeC2, and Ti4GeC3 MAX-phase thin films grown by magnetron sputtering
    Åpne denne publikasjonen i ny fane eller vindu >>Epitaxial Ti2GeC, Ti3GeC2, and Ti4GeC3 MAX-phase thin films grown by magnetron sputtering
    Vise andre…
    2005 (engelsk)Inngår i: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 20, nr 4, s. 779-782Artikkel i tidsskrift (Fagfellevurdert) Published
    Abstract [en]

    We have grown single-crystal thin films of Ti2GeC and Ti3GeC2 and a new phase Ti4GeC3, as well as two new intergrown MAX-structures, Ti5Ge2C3 and Ti7Ge2C5. Epitaxial films were grown on Al2O3(0001) substrates at 1000 °C using direct current magnetron sputtering. X-ray diffraction shows that Ti–Ge–C MAX-phases require higher deposition temperatures in a narrower window than their Ti–Si–C correspondences do, while there are similarities in phase distribution. Nanoindentation reveals a Young’s modulus of 300 GPa, lower than that of Ti3SiC2. Four-point probe measurements yield resistivity values of 50–200 μΩcm. The lowest value is obtained for phase-pure Ti3GeC2(0001) films.

    HSV kategori
    Identifikatorer
    urn:nbn:se:liu:diva-28436 (URN)10.1557/JMR.2005.0105 (DOI)13576 (Lokal ID)13576 (Arkivnummer)13576 (OAI)
    Tilgjengelig fra: 2009-10-09 Laget: 2009-10-09 Sist oppdatert: 2017-12-13
  • 288.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Beckers, Manfred
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Frodelius, Jenny
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Magnetron sputtering of Ti3SiC2 thin films from a Ti3SiC2 compound target2007Inngår i: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 25, nr 5, s. 1381-1388Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ti3 Si C2 thin films were synthesized by magnetron sputtering from Ti3 Si C2 and Ti targets. Sputtering from a Ti3 Si C2 target alone resulted in films with a C content of ∼50 at. % or more, due to gas-phase scattering processes and differences in angular and energy distributions between species ejected from the target. Addition of Ti to the deposition flux from a Ti3 Si C2 target is shown to bind the excess C in Ti Cx intergrown with Ti3 Si C2 and Ti4 Si C3. Additionally, a substoichiometric Ti Cx buffer layer is shown to serve as a C sink and enable the growth of Ti3 Si C2.

  • 289.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Beckers, Manfred
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Jansson, Ulf
    Uppsala University.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    The M(n+1)AX(n) phases: Materials science and thin-film processing2010Inngår i: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 518, nr 8, s. 1851-1878Artikkel, forskningsoversikt (Fagfellevurdert)
    Abstract [en]

    This article is a Critical review of the M(n + 1)AX(n) phases ("MAX phases", where n = 1, 2, or 3) from a materials science perspective. MAX phases are a class of hexagonal-structure ternary carbides and nitrides ("X") of a transition metal ("M") and an A-group element. The most well known are Ti2AlC, Ti3SiC2, and Ti4AlN3. There are similar to 60 MAX phases with at least 9 discovered in the last five years alone. What makes the MAX phases fascinating and potentially useful is their remarkable combination of chemical, physical, electrical, and mechanical properties, which in many ways combine the characteristics of metals and ceramics. For example, MAX phases are typically resistant to oxidation and corrosion, elastically stiff, but at the same time they exhibit high thermal and electrical conductivities and are machinable. These properties stem from an inherently nanolaminated crystal structure, with M1 + nXn slabs intercalated with pure A-element layers. The research on MAX phases has been accelerated by the introduction of thin-film processing methods. Magnetron sputtering and arc deposition have been employed to synthesize single-crystal material by epitaxial growth, which enables studies of fundamental material properties. However, the surface-initiated decomposition of M(n + 1)AX(n) thin films into MX compounds at temperatures of 1000-1100 degrees C is much lower than the decomposition temperatures typically reported for the corresponding bulk material. We also review the prospects for low-temperature synthesis, which is essential for deposition of MAX phases onto technologically important substrates. While deposition of MAX phases from the archetypical Ti-Si-C and Ti-Al-N systems typically requires synthesis temperatures of similar to 800 degrees C, recent results have demonstrated that V2GeC and Cr2AlC can be deposited at similar to 450 degrees C. Also, thermal spray of Ti2AlC powder has been used to produce thick coatings. We further treat progress in the use of first-principle calculations for predicting hypothetical MAX phases and their properties. Together with advances in processing and materials analysis, this progress has led to recent discoveries of numerous new MAX phases such as Ti4SiC3, Ta4AlC3. and Ti3SnC2. Finally, important future research directions are discussed. These include charting the unknown regions in phase diagrams to discover new equilibrium and metastable phases, as well as research challenges in understanding their physical properties, such as the effects of anisotropy, impurities, and vacancies on the electrical properties, and unexplored properties such as Superconductivity, magnetism, and optics.

    Fulltekst (pdf)
    FULLTEXT01
  • 290.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Bugnet, Matthieu
    University of Poitiers.
    Mauchamp, Vincent
    University of Poitiers.
    Dubois, Sylvain
    University of Poitiers.
    Tromas, Christophe
    University of Poitiers.
    Jensen, Jens
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Piraux, Luc
    Catholic University Louvain.
    Gence, Loiek
    Catholic University Louvain.
    Jaouen, Michel
    University of Poitiers.
    Cabioch, Thierry
    University of Poitiers.
    Epitaxial growth and electrical transport properties of Cr(2)GeC thin films2011Inngår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 84, nr 7, s. 075424-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Cr(2)GeC thin films were grown by magnetron sputtering from elemental targets. Phase-pure Cr(2)GeC was grown directly onto Al(2)O(3)(0001) at temperatures of 700-800 degrees C. These films have an epitaxial component with the well-known epitaxial relationship Cr(2)GeC(0001)//Al(2)O(3)(0001) and Cr(2)GeC(11andlt;(2) overbarandgt;0)//Al(2)O(3)(1andlt;(1)over barandgt;00) or Cr(2)GeC(11andlt;(2) over barandgt;0)//Al(2)O(3)(andlt;(1) over barandgt;2andlt;(1) over barandgt;0). There is also a large secondary grain population with (10andlt;(1)overbarandgt;3) orientation. Deposition onto Al(2)O(3)(0001) with a TiN(111) seed layer and onto MgO(111) yielded growth of globally epitaxial Cr(2)GeC(0001) with a virtually negligible (10andlt;(1) over barandgt;3) contribution. In contrast to the films deposited at 700-800 degrees C, the ones grown at 500-600 degrees C are polycrystalline Cr(2)GeC with (10andlt;(1) over barandgt;0)-dominated orientation; they also exhibit surface segregations of Ge as a consequence of fast Ge diffusion rates along the basal planes. The room-temperature resistivity of our samples is 53-66 mu Omega cm. Temperature-dependent resistivity measurements from 15-295 K show that electron-phonon coupling is important and likely anisotropic, which emphasizes that the electrical transport properties cannot be understood in terms of ground state electronic structure calculations only.

    Fulltekst (pdf)
    fulltext
  • 291.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Dahlqvist, Martin
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Tengstrand, Olof
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Lu, Jun
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Nedfors, Nils
    Uppsala University, Sweden .
    Jansson, Ulf
    Uppsala University, Sweden .
    Rosén, Johanna
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Discovery of the Ternary Nanolaminated Compound Nb2GeC by a Systematic Theoretical-Experimental Approach2012Inngår i: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 109, nr 3, s. 035502-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical Nb2GeC is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the Nb2GeC phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has a and c lattice parameters of similar to 3.24 angstrom and 12.82 angstrom.

    Fulltekst (pdf)
    fulltext
  • 292.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Emmerlich, Jens
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Wilhelmsson, Ola
    Uppsala universitet.
    Jansson, Ulf
    Uppsala universitet.
    Isberg, Peter
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Synthesis and characterization of Ti-Si-C compounds for electrical contact applications2005Inngår i: IEEE Holm Conference on Electrical Contacts,2005, Piscataway: IEEE , 2005, s. 277-283Konferansepaper (Fagfellevurdert)
  • 293.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Emmerlich, Jens
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Wilhelmsson, Ola
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Sweden.
    Isberg, Peter
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Birch, Jens
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Persson, Per O. Å.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Jansson, Ulf
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Sweden.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Structural, electrical, and mechanical properties of nc-TiC/a-SiC nanocomposite thin films2005Inngår i: Journal of Vacuum Science & Technology B, ISSN 1071-1023, E-ISSN 1520-8567, Vol. 23, nr 6, s. 2486-2495Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    We have synthesized Ti–Si–C nanocomposite thin films by dc magnetron sputtering from a Ti3SiC2 compound target in an Ar discharge on Si(100), Al2O3(0001), and Al substrates at temperatures from room temperature to 300  °C. Electron microscopy, x-ray diffraction, and x-ray photoelectron spectroscopy showed that the films consisted of nanocrystalline (nc-) TiC and amorphous (a-) SiC, with the possible presence of a small amount of noncarbidic C. The growth mode was columnar, yielding a nodular film-surface morphology. Mechanically, the films exhibited a remarkable ductile behavior. Their nanoindentation hardness and E-modulus values were 20 and 290  GPa, respectively. The electrical resistivity was 330  µ  cm for optimal Ar pressure (4  mTorr) and substrate temperature (300  °C). The resulting nc-TiC/a-SiC films performed well as electrical contact material. These films' electrical-contact resistance against Ag was remarkably low, 6  µ at a contact force of 800  N compared to 3.2  µ for Ag against Ag. The chemical stability of the nc-TiC/a-SiC films was excellent, as shown by a Battelle flowing mixed corrosive-gas test, with no N, Cl, or S contaminants entering the bulk of the films.

  • 294.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Frodelius, Jenny
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Lu, Jun
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Magnfält, Daniel
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Plasma och beläggningsfysik. Linköpings universitet, Tekniska högskolan.
    Epitaxial growth of gamma-Al2O3 on Ti2AlC(0001) by reactive high-power impulse magnetron sputtering2014Inngår i: AIP Advances, ISSN 2158-3226, E-ISSN 2158-3226, Vol. 4, nr 1, s. 017138-Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Al2O3 was deposited by reactive high-power impulse magnetron sputtering at 600 degrees C onto pre-deposited Ti2AlC(0001) thin films on alpha-Al2O3(0001) substrates. The Al2O3 was deposited to a thickness of 65 nm and formed an adherent layer of epitaxial gamma-Al2O3(111) as shown by transmission electron microscopy. The demonstration of epitaxial growth of gamma-Al2O3 on Ti2AlC (0001) open prospects for growth of crystalline alumina as protective coatings on Ti2AlC and related nanolaminated materials. The crystallographic orientation relationships are gamma-Al2O3(111)//Ti2AlC(0001) (out-of-plane) and gamma-Al2O3(2 (2) over bar0)//Ti2AlC(11 (2) over bar0) (in-plane) as determined by electron diffraction. Annealing in vacuum at 900 degrees C resulted in partial decomposition of the Ti2AlC by depletion of Al and diffusion into and through the gamma-Al2O3 layer.

    Fulltekst (pdf)
    fulltext
  • 295.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Epitaxial TiC/SiC multilayers2007Inngår i: Physica status solidi (RRL): rapid research letters, ISSN 1862-6254, Vol. 1, nr 3, s. 113-115Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Epitaxial TiC/SiC multilayers were grown by magnetron sputtering at a substrate temperature of 550 °C, where SiC is normally amorphous. The epitaxial TiC template induced growth of cubic SiC up to a thickness of ~2 nm. Thicker SiC layers result in a direct transition to growth of the metastable amorphous SiC followed by renucleation of nanocrystalline TiC layers

  • 296.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Joelsson, Torbjörn
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Ljungcrantz, Henrik
    Impact Coatings AB, Linköping, Sweden.
    Wilhelmsson, Ola
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Uppsala, Sweden.
    Czigany, Zsolt
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Microstructure and electrical properties of Ti-Si-C-Ag nanocomposite thin films2007Inngår i: Surface and Coatings Technology, ISSN 0257-8972, Vol. 201, nr 14, s. 6465-6469Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ti–Si–C–Ag nanocomposite coatings consisting of nanocrystalline TiC in an amorphous Si matrix with segregated Ag were deposited by dual magnetron sputtering from Ti3SiC2 and Ag targets. As evidenced by X-ray diffraction, scanning electron microscopy, and transmission electron microscopy, for Ag contents below 10 at.%, the Ag forms 10 nm large crystallites that are homogeneously distributed in the films. For higher Ag contents, coalescence during growth results in the formation of >  100 nm Ag islands on the film surface. The electrical resistivity of the coatings was measured in a four-point-probe setup, and ranged from 340 μΩcm (for Ti–Si–C coatings without Ag) to 40 μΩcm (for high Ag content).

  • 297.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Kerdsongpanya, Sit
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten.
    Alling, Björn
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska fakulteten. Max Planck Institute Eisenforsch GmbH, Germany.
    Transition-metal-nitride-based thin films as novel energy harvesting materials2016Inngår i: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 4, nr 18, s. 3905-3914Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    The last few years have seen a rise in the interest in early transition-metal and rare-earth nitrides, primarily based on ScN and CrN, for energy harvesting by thermoelectricity and piezoelectricity. This is because of a number of important advances, among those the discoveries of exceptionally high piezoelectric coupling coefficient in (Sc,Al)N alloys and of high thermoelectric power factors of ScN-based and CrN-based thin films. These materials also constitute well-defined model systems for investigating thermodynamics of mixing for alloying and nanostructural design for optimization of phase stability and band structure. These features have implications for and can be used for tailoring of thermoelectric and piezoelectric properties. In this highlight article, we review the ScN-and CrN-based transition-metal nitrides for thermoelectrics, and drawing parallels with piezoelectricity. We further discuss these materials as a models systems for general strategies for tailoring of thermoelectric properties by integrated theoretical-experimental approaches.

    Fulltekst (pdf)
    fulltext
  • 298.
    Eklund, Per
    et al.
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Murugaiah, Anand
    Department of Materials Science and Engineering, Drexel University, Philadelphia, USA.
    Emmerlich, Jens
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Czigany, Zsolt
    Research Institute for Technical Physics and Materials Science, Hungarian Academy of Sciences, Budapest, Hungary.
    Frodelius, Jenny
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Barsoum, Michel W.
    Department of Materials Science and Engineering, Drexel University, Philadelphia, USA.
    Högberg, Hans
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Hultman, Lars
    Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik. Linköpings universitet, Tekniska högskolan.
    Homoepitaxial growth of Ti-Si-C MAX-phase thin films on bulk Ti3SiC2 substrates2007Inngår i: Journal of Crystal Growth, ISSN 0022-0248, E-ISSN 1873-5002, Vol. 304, nr 1, s. 264-269Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ti3SiC2 films were grown on polycrystalline Ti3SiC2 bulk substrates using DC magnetron sputtering. The crystallographic orientation of the film grains is shown to be determined by the respective substrate-grain orientation through homoepitaxial MAX-phase growth. For a film composition close to Ti:Si:C=3:1:2, the films predominantly consist of MAX phases, both Ti3SiC2 and the metastable Ti4SiC3. Lower Si content resulted in growth of TiC with Ti3SiC2 as a minority phase. Thus, MAX-phase heterostructures with preferred crystallographic relationships can also be realized.

  • 299.
    Eklund, Per
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Palmquist, Jens-Petter
    Kanthal AB.
    Höwing, Jonas
    Institute of Energy Technology, Kjeller, Norway.
    Trinh, David
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    El-Raghy, Tamer
    3-ONE-2, USA.
    Högberg, Hans
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Hultman, Lars
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Ta4AlC3: Phase determination, polymorphism and deformation2007Inngår i: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 55, nr 14, s. 4723-4729Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    Ta4AlC3, a new member of the Mn+1AXn-phase family, has been synthesized and characterized (n = 1-3, M = early transition metal, A = A-group element, and X = C and/or N). Phase determination by Rietveld refinement of synchrotron X-ray diffraction data shows that Ta4AlC3 belongs to the P63/mmc space group with a and c lattice parameters of 3.10884 ± 0.00004 Å and 24.0776 ± 0.0004 Å, respectively. This is shown to be the α-polymorph of Ta4AlC3, with the same structure as Ti4AlN3. Lattice imaging by high-resolution transmission electron microscopy demonstrates the characteristic MAX-phase stacking of α-Ta4AlC3. Three modes of mechanical deformation of α-Ta4AlC3 are observed: lattice bending, kinking and delamination. © 2007.

  • 300.
    Eklund, Per
    et al.
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Palmquist, Jens-Petter
    Uppsala universitet.
    Wilhelmsson, Ola
    Uppsala universitet.
    Jansson, Ulf
    Uppsala universitet.
    Emmerlich, Jens
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Högberg, Hans
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Hultman, Lars
    Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi, Tunnfilmsfysik.
    Comment on "Pulsed laser deposition and properties of Mn+1AXx phase formulated Ti3SiC2 thin films"2004Inngår i: Tribology letters, ISSN 1023-8883, E-ISSN 1573-2711, Vol. 17, nr 4, s. 977-978Artikkel i tidsskrift (Annet vitenskapelig)
    Abstract [en]

    A recent paper by Hu et al. claimed synthesis of the MAX-phase Ti3SiC2at 100-300 °C using pulsed laser deposition. In this comment, we find that the evidence presented by Hu et al. is insufficient to show Ti3SiC2 formation. In fact, there is a simpler interpretation of their results from X-ray diffraction and transmission electron microscopy, namely that the material produced is a cubic TiC-based compound.

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