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  • 51.
    Fashandi, Hossein
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, The Institute of Technology.
    Ivády, Viktor
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology. Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest, Hungary.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lloyd Spetz, Anita
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, The Institute of Technology.
    Katsnelson, Mikhail I.
    Radboud University of Nijmegen, Institute for Molecules and Materials, Nijmegen, The Netherlands / Dept. of Theoretical Physics and Applied Mathematics, Ural Federal University, Russia.
    Abrikosov, Igor A.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology. School of Information and Communication Technology, KTH, Stockholm, Sweden.
    Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides2015In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 92, no 15Article in journal (Refereed)
    Abstract [en]

    We investigated the structural and electrical properties of 2D MXene sheets by means of firstprinciples density functional theory (DFT) calculations. To describe the Kohn-Sham states, plane wave basis set and projector augmented wave method (PAW) were used as implemented in the Vienna ab initio Simulation Package (VASP). We applied PBE parameterization of the generalized gradient approximation of the exchange and correlation energy functional to account for many-body effects of the interacting electron system. Convergent sampling of the Brillouin-zone was achieved by a Γ-centered 15×15×1 grid. In order to model a single sheet of MXene we ensured at least 30 Å vacuum between the periodically repeated sheets. For the structural optimization 1×10−3 eV/Å force criteria was used. The relativistic spin-orbit coupling effects were also included in our simulations regarding band structure and density of states.

  • 52.
    Fashandi, Hossein
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lai, Chung-Chuan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Dahlqvist, Martin
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Andersson, Mike
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Lloyd Spetz, Anita
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Ti2Au2C and Ti3Au2C2 formed by solid state reaction of gold with Ti2AlC and Ti3AlC22017In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 53, no 69, p. 9554-9557Article in journal (Refereed)
    Abstract [en]

    Incorporation of layers of noble metals in non-van der Waals layered materials may be used to form novel layered compounds. Recently, we demonstrated a high-temperature-induced exchange process of Au with Si in the layered phase Ti3SiC2, resulting in the formation of Ti3AuC2 and Ti3Au2C2. Here, we generalize this technique showing that Au/Ti2AlC and Au/Ti3AlC2 undergo an exchange reaction at 650 [degree]C to form Ti2Au2C and Ti3Au2C2 and determine their structures by electron microscopy, X-ray diffraction, and ab initio calculations. These results imply that noble-metal-containing layered phases should be possible to synthesize in many systems. The metal to be introduced should be inert to the transition-metal carbide layers, and exhibit negative heat of mixing with the initial A element in a liquid phase or two-phase liquid/solid region at the annealing temperature.

  • 53.
    Fashandi, Hossein
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, The Institute of Technology.
    Soldemo, M.
    KTH Royal Institute of Technology, Material Physics, Kista, Sweden.
    Weissenrieder, J.
    KTH Royal Institute of Technology, Material Physics, Kista, Sweden.
    Götelid, M.
    KTH Royal Institute of Technology, Material Physics, Kista, Sweden.
    Eriksson, Johan
    Linköping University, Department of Physics, Chemistry and Biology, Surface and Semiconductor Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lloyd Spetz, Anita
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, The Institute of Technology.
    Andersson, Mike
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, The Institute of Technology.
    Monolayer iron oxide grown on porous platinum sensing layers of carbon monoxide sensors2015Manuscript (preprint) (Other academic)
    Abstract [en]

    Mono-layer iron oxide has been deposited through e-beam evaporation on a silica supported poly-crystalline platinum (Pt) model catalyst and its CO oxidation characteristics obtained from mass spectrometry measurements under various CO and O2 concentrations (ranging from 100 to 900 ppm and 3 to 7 %, respectively) as well as at different temperatures (ranging from 130 to 220 °C) and compared to the CO oxidation on corresponding non-coated Pt samples. Fabricating the model system as a Metal Oxide Semiconductor (MOS) structure from 4H-SiC with a top layer of SiO2 (as the support material) and a thin, discontinuous polycrystalline Pt film as the metal (the active catalyst material) also provided the possibility to investigate whether changes in catalyst surface conditions could be electronically monitored through the changes in capacitance they induce across the MOS structure.

    A low-temperature shift in the activity to CO oxidation for the iron oxide modified compared to bare Pt catalysts similar to what has previously been reported on single-crystalline Pt was found also for the near-realistic MOS model catalyst. This low-temperature shift was furthermore reflected in the electrical measurements, strongly indicating a correlation between the MOS capacitance and the CO oxidation characteristics, both in the case of iron oxide coated and non-coated Pt samples. By monitoring the MOS capacitance during more than 200 hours of continuous operation and analyzing the iron oxide coated samples by photo electron spectroscopy it could also be concluded that the iron oxide coated model catalyst seemingly retains its CO oxidation characteristics and chemical/compositional integrity over time. These findings might not only point to the applicability of iron oxide modified Pt in practical applications but may also open up new possibilities regarding the utilization of MOS model systems in studying and understanding as well as tailor CO oxidation (and other) catalysts and/or gas sensors for specific applications.

  • 54.
    Fashandi, Hossein
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Soldemo, Markus
    KTH Royal Institute Technology, Sweden.
    Weissenrieder, Jonas
    KTH Royal Institute Technology, Sweden.
    Gothelid, Mats
    KTH Royal Institute Technology, Sweden.
    Eriksson, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lloyd Spetz, Anita
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Andersson, Mike
    Linköping University, Department of Physics, Chemistry and Biology, Applied Sensor Science. Linköping University, Faculty of Science & Engineering.
    Applicability of MOS structures in monitoring catalytic properties, as exemplified for monolayer-iron-oxide-coated porous platinum films2016In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 344, p. 583-590Article in journal (Refereed)
    Abstract [en]

    Metal Oxide Semiconductor (MOS) capacitor devices comprised of monolayer iron oxide-coated as well as non-coated polycrystalline Pt deposited on oxidized silicon carbide substrates have been fabricated and their usefulness as realistic model systems in catalyst studies development was evaluated. The CO oxidation characteristics of both iron oxide- and non-coated Pt catalysts were investigated using mass spectrometry, monitoring the carbon dioxide production rate for different combinations of carbon monoxide (CO) and oxygen concentrations at various temperatures. Additionally, the output capacitance of the MOS model catalysts was recorded for each individual CO oxidation activity. A low-temperature shift in CO oxidation characteristics for the monolayer-coated compared to the non-coated Pt catalysts was observed, similar to that previously reported for monolayer iron oxide grown on single-crystalline Pt substrates. A strong correlation between the output capacitance of the MOS structures and the CO oxidation characteristics was found for both monolayer- and non-coated model catalysts. Furthermore, the devices exhibit retained MOS electrical output and CO oxidation characteristics as well as an unaffected catalyst surface composition, as confirmed by photoelectron spectroscopy, even after 200 h of continuous model catalyst operation. In addition to the implications on practical applicability of monolayer iron oxide coating on widely used polycrystalline Pt films in real-world catalysts and sensors, the findings also point to new possibilities regarding the use of MOS model systems for in situ characterization, high throughput screening, and tailoring of e.g. catalyst- and fuel-cell-electrode materials for specific applications. (C) 2016 Elsevier Inc. All rights reserved.

  • 55.
    Field, M. R.
    et al.
    RMIT University, Australia.
    Carlsson, Patrick
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Partridge, J. G.
    RMIT University, Australia.
    McCulloch, D. G.
    RMIT University, Australia.
    McKenzie, D. R.
    University of Sydney, Australia.
    Bilek, M. M. M.
    University of Sydney, Australia.
    A combinatorial comparison of DC and high power impulse magnetron sputtered Cr2AlC2014In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 259, p. 746-750Article in journal (Refereed)
    Abstract [en]

    Using a combinatorial approach, Cr, Al and C have been deposited onto sapphire wafer substrates by High Power Impulse Magnetron Sputtering (HiPIMS) and DC magnetron sputtering. X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and X-ray diffraction were employed to determine the composition and microstructure of the coatings and confirm the presence of the Cr2AlC MAX phase within both coatings. One location in both the DCMS and HiPIMS coatings contained only MAX phase Cr2AlC. The electrical resistivity was also found to be nearly identical at this location and close to that reported from the bulk, indicating that the additional energy in the HiPIMS plasma was not required to form high quality MAX phase Cr2AlC.

  • 56.
    Frodelius, Jenny
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Beckers, Manfred
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Persson, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Sputter deposition from a Ti2AlC target: Process characterization and conditions for growth of Ti2AlC2010In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 518, no 6, p. 1621-1626Article in journal (Refereed)
    Abstract [en]

    Sputter deposition from a Ti2AlC target was found to yield Ti-Al-C films with a composition that deviates from the target composition of 2:1:1. For increasing substrate temperature from ambient to 1000 degrees C, the Al content decreased from 22 at.% to 5 at.%, due to re-evaporation. The C content in as-deposited films was equal to or higher than the Ti content. Mass spectrometry of the plasma revealed that the Ti and Al species were essentially thermalized, while a large fraction of C with energies andgt;4 eV was detected. Co-sputtering with Ti yielded a film stoichiometry of 2:0.8:0.9 for Ti:Al:C, which enabled growth of Ti2AlC. These results indicate that an additional Ti flux balances the excess C and therefore provides for more stoichiometric Ti2AlC synthesis conditions.

  • 57.
    Frodelius, Jenny
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phase Stability and Initial Oxidation of Ti2AlC Thin Films at 500 °CManuscript (preprint) (Other academic)
    Abstract [en]

    Ti2AlC thin films deposited onto Al2O3 by magnetron sputtering have been annealed in vacuum and ambient air. The films consist of basal-plane-oriented grains with a fraction of nonbasal-plane-oriented grains with an out-of-plane orientation of [1013] and [1016] as shown by x-ray diffraction and scanning electron microscopy. The surface of the basalplane-oriented grains has (0001) terraces growth. In situ x-ray diffraction shows that the Ti2AlC phase decomposes during vacuum annealing at 700 °C, which is lower than what have been reported for bulk material. When oxidized in ambient air at 500 °C for 5 min oxide clusters of amorphous Al2O3 form in valleys between terraces. The oxides are formed by out-diffusion of Al along the basal planes and migration over the surface. X-ray photoelectron spectroscopy of a Ti2AlC film oxidized at 500 °C for 15 min shows oxides due to a parallel oxidation of Ti and Al.

  • 58.
    Frodelius, Jenny
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Johansson, Emma M.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology.
    Córdoba, José M.
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology.
    Odén, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Annealing of thermally sprayed Ti2AlC coatings2011In: INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY, ISSN 1546-542X, Vol. 8, no 1, p. 74-84Article in journal (Refereed)
    Abstract [en]

    Phase transformations during annealing of coatings sprayed with the High Velocity Oxy-Fuel technique using Ti2AlC powder have been investigated by in-situ x-ray diffraction. The asdeposited coatings, consisting of Ti2AlC, Ti3AlC2, TiC, Ti-Al, and oxides, are stable up to 500 °C. Ti3AlC2 forms above 550 °C and Ti2AlC forms above 700 °C by intercalation of Al into TiCx. For temperatures between 900 and 1100 °C, Ti3AlC2 and Ti2AlC decompose by losing Al to the surrounding matrix resulting in TiCx, and Al2O3. The thermal expansion coefficient between ambient and 700°C is 11.9·10-6 K-1. The thermal diffusivity at room temperature is 1.9·10-6 m2/s.

  • 59.
    Frodelius, Jenny
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Paul, Dennis
    Phys Elect USA, USA .
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phase stability and initial low-temperature oxidation mechanism of Ti2AlC thin films2013In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 33, no 2, p. 375-382Article in journal (Refereed)
    Abstract [en]

    Ti2AlC thin films deposited onto Al2O3 by magnetron sputtering were used as model for studying the early stages (andlt; 15 min) of relatively low-temperature (500 degrees C) oxidation of Ti2AlC. The well-defined microstructure of these films forms a surface of valleys, hillocks and plateaus comprised of basal-plane-oriented grains with a fraction of nonbasal-plane-oriented grains with out-of-plane orientation of (1 0 (1) over bar 3) and (1 0 (1) over bar 6) as shown by X-ray diffraction and s electron microscopy. During oxidation, Al2O3 clusters and areas of C-containing titania (TiOxCy) are formed on the surface. A mechanism is proposed in which the locations of the Al2O3 clusters are related to the migration of Al atoms diffusing out of Ti2AlC. The Al2O3 is initially formed in valleys or on plateaus where Al atoms have been trapped while TiOxCy forms by in-diffusion of oxygen into the Al-deficient Ti2AlC. At 500 degrees C, the migration of Al atoms is faster than the oxidation kinetics; explaining this microstructure-dependent oxidation mechanism.

  • 60.
    Gharavi, Mohammad Amin
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Armiento, Rickard
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Max Planck Institute Eisenforsch GmbH, Germany.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Theoretical study of phase stability, crystal and electronic structure of MeMgN2 (Me = Ti, Zr, Hf) compounds2018In: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 53, no 6, p. 4294-4305Article in journal (Refereed)
    Abstract [en]

    Scandium nitride has recently gained interest as a prospective compound for thermoelectric applications due to its high Seebeck coefficient. However, ScN also has a relatively high thermal conductivity, which limits its thermoelectric efficiency and figure of merit (zT). These properties motivate a search for other semiconductor materials that share the electronic structure features of ScN, but which have a lower thermal conductivity. Thus, the focus of our study is to predict the existence and stability of such materials among inherently layered equivalent ternaries that incorporate heavier atoms for enhanced phonon scattering and to calculate their thermoelectric properties. Using density functional theory calculations, the phase stability of TiMgN2, ZrMgN2 and HfMgN2 compounds has been calculated. From the computationally predicted phase diagrams for these materials, we conclude that all three compounds are stable in these stoichiometries. The stable compounds may have one of two competing crystal structures: a monoclinic structure (LiUN2 prototype) or a trigonal superstructure (NaCrS2 prototype; RmH). The band structure for the two competing structures for each ternary is also calculated and predicts semiconducting behavior for all three compounds in the NaCrS2 crystal structure with an indirect band gap and semiconducting behavior for ZrMgN2 and HfMgN2 in the monoclinic crystal structure with a direct band gap. Seebeck coefficient and power factors are also predicted, showing that all three compounds in both the NaCrS2 and the LiUN2 structures have large Seebeck coefficients. The predicted stability of these compounds suggests that they can be synthesized by, e.g., physical vapor deposition.

  • 61.
    Gharavi, Mohammad Amin
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eriksson, Fredrik
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Balke, B.
    Univ Stuttgart, Germany.
    Fournier, D.
    Sorbonne Univ, France.
    Le Febvrier, Arnaud
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Pallier, Camille
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Synthesis and characterization of single-phase epitaxial Cr2N thin films by reactive magnetron sputtering2019In: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 54, no 2, p. 1434-1442Article in journal (Refereed)
    Abstract [en]

    Cr2N is commonly found as a minority phase or inclusion in stainless steel, CrN-based hard coatings, etc. However, studies on phase-pure material for characterization of fundamental properties are limited. Here, Cr2N thin films were deposited by reactive magnetron sputtering onto (0001) sapphire substrates. X-ray diffraction and pole figure texture analysis show Cr2N (0001) epitaxial growth. Scanning electron microscopy imaging shows a smooth surface, while transmission electron microscopy and X-ray reflectivity show a uniform and dense film with a density of 6.6gcm(-3), which is comparable to theoretical bulk values. Annealing the films in air at 400 degrees C for 96h shows little signs of oxidation. Nano-indentation shows an elastic-plastic behavior with H=18.9GPa and E-r=265GPa. The moderate thermal conductivity is 12Wm(-1)K(-1), and the electrical resistivity is 70cm. This combination of properties means that Cr2N may be of interest in applications such as protective coatings, diffusion barriers, capping layers and contact materials.

  • 62.
    Gharavi, Mohammad Amin
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Kerdsongpanya, Sit
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rensselaer Polytech Inst, NY 12180 USA.
    Schmidt, Susann
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eriksson, Fredrik
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Nong, N. V
    Tech Univ Denmark, Denmark.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Balke, B.
    Johannes Gutenberg Univ Mainz, Germany.
    Fournier, D.
    UPMC Univ Paris 06, France.
    Belliard, L.
    UPMC Univ Paris 06, France.
    Le Febvrier, Arnaud
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Pallier, Camille
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Microstructure and thermoelectric properties of CrN and CrN/Cr2N thin films2018In: Journal of Physics D: Applied Physics, ISSN 0022-3727, E-ISSN 1361-6463, Vol. 51, no 35, article id 355302Article in journal (Refereed)
    Abstract [en]

    CrN thin films with an N/Cr ratio of 95% were deposited by reactive magnetron sputtering onto (0001) sapphire substrates. X-ray diffraction and pole figure texture analysis show CrN (111) epitaxial growth in a twin domain fashion. By changing the nitrogen versus argon gas flow mixture and the deposition temperature, thin films with different surface morphologies ranging from grainy rough textures to flat and smooth films were prepared. These parameters can also affect the CrN(x )system, with the film compound changing between semiconducting CrN and metallic Cr2N through the regulation of the nitrogen content of the gas flow and the deposition temperature at a constant deposition pressure. Thermoelectric measurements (electrical resistivity and Seebeck coefficient), scanning electron microscopy, and transmission electron microscopy imaging confirm the changing electrical resistivity between 0.75 and 300 m omega cm, the changing Seebeck coefficient values between 140 and 230 mu VK-1, and the differences in surface morphology and microstructure as higher temperatures result in lower electrical resistivity while gas flow mixtures with higher nitrogen content result in single phase cubic CrN.

  • 63.
    Gunnarsson Sarius, Niklas
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lauridsen, Jonas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lewin, E.
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Sweden.
    Jansson, U.
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Sweden.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Öberg, Å.
    ABB Corporate Research, Forskargränd 7, SE-721 78 Västerås, Sweden.
    Leisner, P.
    SP Technical Research Institute of Sweden, Box 857, 501 15 Borås, Sweden/School of Engineering Jönköping University, Sweden.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Contact resistance of Ti-Si-C-Ag and Ti-Si-C-Ag-Pd nanocomposite coatings2012In: Journal of Electronic Materials, ISSN 0361-5235, E-ISSN 1543-186X, Vol. 41, no 3, p. 560-567Article in journal (Refereed)
    Abstract [en]

    Ti-Si-C-Ag-Pd and Ti-Si-C-Ag nanocomposite coatings were deposited by magnetronsputtering on Cu substrates with an electroplated Ni layer. Analytical electronmicroscopy and x-ray diffraction show that the nanocomposites consist of TiC,Ag:Pd, and amorphous SiC. The contact resistance of these coatings against aspherical Au-Co surface was measured for applied contact force up 0 to 5 N. Ti-Si-CAg-Pd coatings with a Ag:Pd strike coating has ~10 times lower contact resistance atcontact forces below 1 N (~10 mΩ at ~0.1N), and ~2 times lower for contact forcesaround 5 N (<1 mΩ at 5 N), compared to the Ti-Si-C-Ag coating.

  • 64.
    Gunnarsson Sarius, Niklas
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lauridsen, Jonas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lewin, E.
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Sweden.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Öberg, Å.
    ABB Corporate Research, Forskargränd 7, SE-721 78 Västerås, Sweden.
    Ljungcrantz, H.
    Impact Coatings AB, Westmansgatan 29, SE-582 16 Linköping, Sweden.
    Leisner, P.
    SP Technical Research Institute of Sweden, Box 857, SE-501 15 Borås, Sweden/School of Engineering Jönköping University, Box 1026, SE- 551 11 Jönköping, Sweden.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Ni and Ti diffusion barrier layers between Ti-Si-C-Ag nanocomposite coatings and Cu-based substrates2012In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 206, no 8-9, p. 2558-2565Article in journal (Refereed)
    Abstract [en]

    Sputtered Ni and Ti layers were investigated as substitutes for electroplated Ni as adiffusion barrier between Ti-Si-C and Ti-Si-C-Ag nanocomposite coatings and Cu orCuSn substrates. Samples were subjected to thermal annealing studies by exposure to400 ºC during 11 h. Dense diffusion barrier and coating hindered Cu from diffusing tothe surface. This condition was achieved for electroplated Ni in combination withmagnetron-sputtered Ti-Si-C and Ti-Si-C-Ag layers deposited at 230 ºC and 300 ºC,and sputtered Ti or Ni layers in combination with Ti-Si-C-Ag deposited at 300 ºC.

  • 65.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Cook, Kevin M.
    Praxair Inc, NY 14150 USA.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel Univ, PA 19104 USA.
    XPS of cold pressed multilayered and freestanding delaminated 2D thin films of Mo2TiC2Tz and Mo2Ti2C3Tz (MXenes)2019In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 494, p. 1138-1147Article in journal (Refereed)
    Abstract [en]

    MXenes, transition metal carbides and/or nitrides, that are synthesized from the top down by etching of their 3D parent layered solids, the MAX phases, are the latest family of the two-dimensional solids discovered. When the A layers - mostly Al - are etched they are replaced by surface terminations, Tz mainly comprised of O-, OH- and F-terminations. One of the few techniques capable of quantifying these surface terminations is X-ray photo-electron spectroscopy, XPS. Herein, we undertook an XPS study of the out-of-plane ordered MXenes, Mo2TiC2Tz and Mo2Ti2C3Tz, in both multilayered, ML, cold pressed and delaminated thin film forms. The harsh conditions needed to etch these MAX phases into MLs, results in their partial oxidation. The hydroxide used to delaminate the MLs results in further oxidation and a reduction in the F-content. In all cases, etching resulted in a decrease in the Ti to Mo ratio implying that the former atoms are selectively etched. In all but the ML Mo2TiC2Tz case, the Mo to C ratio was also reduced. It follows that the loss of Ti also results in the loss of C atoms. Again with the exception of the ML Mo2Ti2C3Tz case, the number of termination moles per formula unit, z, was amp;gt; 2, which is energetically unfavorable and thus unlikely. However, if one assumes that not all of the O signal is coming from terminations but rather from O atoms that replace C atoms in the MX blocks, then z similar to 2. This work is an important step in quantifying and understanding the effects of etching on terminations and structure in these Mo and Ti-based MXenes.

  • 66.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA; Drexel University, PA 19104 USA.
    Cook, Kevin M.
    Naval Air Syst Command, MD 20670 USA.
    Naguib, Michael
    Oak Ridge National Lab, TN 37831 USA.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Gogotsi, Yury
    Drexel University, PA 19104 USA; Drexel University, PA 19104 USA.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Department of Materials Science & Engineering, Drexel University, Philadelphia, PA 19104, USA.
    X-ray photoelectron spectroscopy of select multi-layered transition metal carbides (MXenes)2016In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 362, p. 406-417Article in journal (Refereed)
    Abstract [en]

    In this work, a detailed high resolution X-ray photoelectron spectroscopy (XPS) analysis is presented for select MXenes a recently discovered family of two-dimensional (2D) carbides and carbonitrides. Given their 2D nature, understanding their surface chemistry is paramount. Herein we identify and quantify the surface groups present before, and after, sputter-cleaning as well as freshly prepared vs. aged multi layered cold pressed discs. The nominal compositions of the MXenes studied here are Ti-3 C2Tx,Ti3CNTx, Nb2CTx and Nb4C3Tx where T represents surface groups that this work attempts to quantify. In all the cases, the presence of three surface terminations, O, OH and F, in addition to OH-terminations relatively strongly bonded to H2O molecules, was confirmed. From XPS peak fits, it was possible to establish the average sum of the negative charges of the terminations for the aforementioned MXenes. Based on this work, it is now possible to quantify the nature of the surface terminations. This information can, in turn, be used to better design and tailor these novel 2D materials for various applications. Published by Elsevier B.V.

  • 67.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. Department of Materials Science & Engineering and 3A.J. Drexel Nanotechnology Institute, Drexel University, Philadelphia, USA.
    Cook, Kevin M.
    University of Penn, PA 19104 USA Drexel University, PA 19104 USA .
    Näslund, Lars-Åke
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Magnuson, Martin
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. University of Penn, PA 19104 USA .
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Gogotsi, Yury
    University of Penn, PA 19104 USA Drexel University, PA 19104 USA .
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Barsoum, Michel W.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. Department of Materials Science & Engineering, Drexel University, Philadelphia, USA.
    X-ray Photoelectron Spectroscopy Characterization of Two-Dimensional Titanium Metal Carbides (MXenes)2014Manuscript (preprint) (Other academic)
    Abstract [en]

    Herein, we report X-ray Photoelectron Spectroscopy (XPS) analysis for cold pressed exfoliated 2D nanocrystals of transition metal carbides, MXenes. MXenes are a recently discovered family of 2D materials produced by selective chemical etching of the A element from MAX phases which are ternary metal carbides and nitrides. The latter has the formula of Mn+1AXn, where M is an early transition metal, A is an A-group element, and X is C and/or N. This study is a comparison between two MXenes, Ti3C2Tx and Ti2CTx, where Tx stands for surface termination groups such as –O, –OH, and –F. Ti3C2Tx and Ti2CTx were prepared by immersion of Ti3AlC2 and Ti2AlC powders in 50% conc. HF. A thorough XPS analysis was performed through peak fitting of high resolution XPS spectra and valence band, VB, spectra analysis. The effect of Ar sputtering as well as the number of layers n was the primarily interest of this study. According to the peak fitting analysis, both phases contain the following species, Ti–C, C–C, Ti–F, Ti–O and Ti–OH resulting in the following chemical formulas: Ti3C2(OH)x(O)y(F)z and Ti2C(OH)x(O)y(F)z. Comparing the VB spectra with the DOS calculations show the valance band spectra is actually a mixture of MXene with various terminations of OH, O and F. Before Ar+ sputtering both phases show a large percentage of fluorinated-TiO2 which is due to MXene surface oxidation as well as CHx, C-O and COO groups arising from either surface contaminations or due to drying the etched powders in ethanol after washing the powder of the HF acid. According to the VB spectra, it is shown that the fluorinated TiO2 is actually a mixture of anatase and rutile. The number of layers, n, also plays a role; the lower n, the more the MXene is prone to oxidation.

  • 68.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. Univ Penn, PA 19104 USA Drexel Univ, PA 19104 USA.
    Lukatskaya, Maria R.
    University of Penn, PA 19104 USA Drexel University, PA 19104 USA .
    Cook, Kevin M.
    University of Penn, PA 19104 USA Drexel University, PA 19104 USA .
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Smith, Cole R.
    University of Penn, PA 19104 USA .
    Näslund, Lars-Åke
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    May, Steven J.
    University of Penn, PA 19104 USA .
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Gogotsi, Yury
    University of Penn, PA 19104 USA Drexel University, PA 19104 USA .
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Transparent Conductive Two-Dimensional Titanium Carbide Epitaxial Thin Films2014In: Chemistry of Materials, ISSN 0897-4756, E-ISSN 1520-5002, Vol. 26, no 7, p. 2374-2381Article in journal (Refereed)
    Abstract [en]

    Since the discovery of graphene, the quest for two-dimensional (2D) materials has intensified greatly. Recently, a new family of 2D transition metal carbides and carbonitrides (MXenes) was discovered that is both conducting and hydrophilic, an uncommon combination. To date MXenes have been produced as powders, flakes, and colloidal solutions. Herein, we report on the fabrication of similar to 1 x 1 cm(2) Ti3C2 films by selective etching of Al, from sputter-deposited epitaxial Ti3AlC2 films, in aqueous HF or NH4HF2. Films that were about 19 nm thick, etched with NH4HF2, transmit similar to 90% of the light in the visible-to-infrared range and exhibit metallic conductivity down to similar to 100 K. Below 100 K, the films resistivity increases with decreasing temperature and they exhibit negative magnetoresistance-both observations consistent with a weak localization phenomenon characteristic of many 2D defective solids. This advance opens the door for the use of MXenes in electronic, photonic, and sensing applications.

  • 69.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Moon, Eun Ju
    Drexel Univ, PA 19104 USA.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel W.
    Drexel Univ, PA 19104 USA.
    Ouisse, Thierry
    Univ Grenoble Alpes, France.
    Variable range hopping and thermally activated transport in molybdenum-based MXenes2018In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 98, no 10, article id 104202Article in journal (Refereed)
    Abstract [en]

    The magnetotransport of freestanding, vacuum filtered, thin films of Mo2CTz, Mo1.33CTz, Mo2TiC2Tz, and Mo2Ti2C3Tz was measured in the 10-300-K temperature (T) range. Some of the films were annealed before measuring their transport properties. Analysis of the results suggest that-with the exception of the heavily defective Mo1.33CTz composition-in the 10- to 200-K temperature regime, variable range hopping between individual MXene sheets is the operative conduction mechanism. For Mo1.33CTz it is more likely that variable range hopping within individual flakes is rate limiting. At higher temperatures, a thermally activated process emerges in all cases. It follows that improved fabrication processes should lead to considerable improvements in the electrical transport of Mo-based MXenes.

  • 70.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Palisaitis, Justinas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Thörnberg, Jimmy
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    E. J., Moon
    Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104, United States.
    M., Precner
    Institute of Electrical Engineering, Slovak Academy of Sciences, Bratislava 84104, Slovak Republic.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Persson, Per O. Å.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    M. W., Barsoum
    Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104, United States.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Synthesis of Two-Dimensional Nb1.33C (MXene) with Randomly Distributed Vacancies by Etching of the Quaternary Solid Solution (Nb2/3Sc1/3)2AlC MAX Phase2018In: ACS Applied Nano Materials, ISSN 2574-0970, Vol. 1, no 6, p. 2455-2460Article in journal (Refereed)
    Abstract [en]

    Introducing point defects in two-dimensional (2D) materials can alter or enhance their properties. Here, we demonstrate how etching a laminated (Nb2/3Sc1/3)2AlC MAX phase (solid solution) of both the Sc and Al atoms results in a 2D Nb1.33C material (MXene) with a large number of vacancies and vacancy clusters. This method is applicable to any quaternary, or higher, MAX phase, wherein one of the transition metals is more reactive than the other and could be of vital importance in applications such as catalysis and energy storage. We also report, for the first time, on the existence of solid solution (Nb2/3Sc1/3)3AlC2 and (Nb2/3Sc1/3)4AlC3 phases.

  • 71.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Persson, Ingemar
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Persson, Per O A
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Sodium hydroxide and vacuum annealing modifications of the surface terminations of a Ti3C2 (MXene) epitaxial thin film2018In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 8, no 64, p. 36785-36790Article in journal (Refereed)
    Abstract [en]

    We investigate, and quantify, changes in structure and surface terminations of epitaxial thin films of titanium carbide (Ti3C2) MXene, when treated by sodium hydroxide solution followed by vacuum annealing at 550 degrees C. Using X-ray photoelectron spectroscopy and scanning transmission electron microscopy, we show that NaOH treatment produce an increase in the c-lattice parameter together with an increase in the O terminations and a decrease in the F terminations. There is also an increase in the percentage of the binding energy of Ti-species in Ti 2p XPS region, which suggests an increase in the overall oxidation state of Ti. After subsequent annealing, the c-lattice parameter is slightly reduced, the overall oxidation state of Ti is decreased, and the F surface terminations are further diminished, leaving a surface with predominantly O as the surface terminating species. It is important to note that NaOH treatment facilitates removal of F at lower annealing temperatures than previously reported, which in turn is important for the range of attainable properties.

  • 72.
    Halim, Joseph
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Persson, Ingemar
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Moon, Eun Ju
    SUNY Buffalo, NY 14260 USA.
    Kuhne, Philipp
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
    Darakchieva, Vanya
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
    Persson, Per O A
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel W.
    Drexel Univ, PA 19104 USA.
    Electronic and optical characterization of 2D Ti2C and Nb2C (MXene) thin films2019In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 31, no 16, article id 165301Article in journal (Refereed)
    Abstract [en]

    Two-dimensional (2D) transition metal carbides and/or nitrides (MXenes) are a new class of 2D materials, with extensive opportunities for property tailoring due to the numerous possibilities for varying chemistries and surface terminations. Here, Ti2AlC and Nb2AlC MAX phase epitaxial thin films were deposited on sapphire substrates by physical vapor deposition. The films were then etched in LiF/HCl solutions, yielding Li-intercalated, 2D Ti2CTz and Nb2CTz films, whose terminations, transport and optical properties were characterized. The former exhibits metallic conductivity, with weak localization below 50 K. In contrast, the Nb-based film exhibits an increase in resistivity with decreasing temperature from RT down to 40K consistent with variable range hopping transport. The optical properties of both films were determined from spectroscopic ellipsometry in the 0.75 to 3.50 eV range. The results for Ti2Clz films confirm the metallic behavior. In contrast, no evidence of metallic behavior is observed for the Nb2CT(z) film. The present work therefore demonstrates that one fruitful approach to alter the electronic and optical properties of MXenes is to change the nature of the transition metal.

  • 73.
    Hu, C.
    et al.
    Drexel University, PA 19104 USA.
    Lai, Chung-Chuan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tao, Quanzheng
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Halim, Joseph
    Drexel University, PA 19104 USA.
    Sun, L.
    Chinese Academic Science, Peoples R China.
    Zhang, J.
    Chinese Academic Science, Peoples R China.
    Yang, J.
    Drexel University, PA 19104 USA.
    Anasori, B.
    Drexel University, PA 19104 USA.
    Wang, J.
    Chinese Academic Science, Peoples R China.
    Sakka, Y.
    National Institute Mat Science, Japan.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. Drexel University, PA 19104 USA.
    Mo2Ga2C: a new ternary nanolaminated carbide2015In: Chemical Communications, ISSN 1359-7345, E-ISSN 1364-548X, Vol. 51, no 30, p. 6560-6563Article in journal (Refereed)
    Abstract [en]

    We report the discovery of a new hexagonal Mo2Ga2C phase, wherein two Ga layers - instead of one - are stacked in a simple hexagonal arrangement in between Mo2C layers. It is reasonable to assume this compound is the first of a larger family.

  • 74.
    Hug, G
    et al.
    ONERA CNRS.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Orchowski, A
    Carl Zeiss NTS GmbH.
    Orientation dependence of electron energy loss spectra and dielectric functions of Ti3SiC2 and Ti3AlC22010In: ULTRAMICROSCOPY, ISSN 0304-3991, Vol. 110, no 8, p. 1054-1058Article in journal (Refereed)
    Abstract [en]

    We employ monochromatized electron energy loss spectroscopy to study Ti3SiC2 and Ti3AlC2. By probing individual grains aligned along different axes in bulk polycrystalline Ti3SiC2 and Ti3AlC2, this approach enables determination of the anisotropy of the dielectric functions and an estimate of the free-electron lifetime in different orientations. The dielectric functions are characterized by strong interband transitions in the low energy region. The energies plasmon resonance were determined to be approximate to 5 eV and exhibit a strong orientation-dependence. Our measurements show that the free-electron lifetimes are also highly orientation-dependent. These results suggest that scattering of carriers in MAX phases is very sensitive to composition and orientation.

  • 75.
    Högberg, Hans
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Emmerlich, Jens
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Epitaxial Ti2GeC, Ti3GeC2, and Ti4GeC3 MAX-phase thin films grown by magnetron sputtering2005In: Journal of Materials Research, ISSN 0884-2914, E-ISSN 2044-5326, Vol. 20, no 4, p. 779-782Article in journal (Refereed)
    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.

  • 76.
    Högberg, Hans
    et al.
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Emmerlich, Jens
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Eklund, Per
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Wilhelmsson, Ola
    Palmquist, Jens-Petter
    Jansson, Ulf
    Hultman, Lars
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Growth and characterization of epitaxial MAX-phase thin films from the Tin+1(Si,Ge,Sn)Cn systems2006In: 11th International Ceramics Congress, CIMTEC,2006, Zürich: TransTech Publications , 2006, p. 2648-Conference paper (Refereed)
    Abstract [en]

      

  • 77.
    Högberg, Hans
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Emmerlich, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Joelsson, Torbjörn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Molina-Aldareguia, Jon M.
    Department of Materials, CEIT, Spain.
    Palmquist, Jens-Petter
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Uppsala, Sweden.
    Wilhelmsson, Ola
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Uppsala, Sweden.
    Jansson, Ulf
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, Uppsala, Sweden.
    Growth and characterization of MAX-phase thin films2005In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 193, no 1-3, p. 6-10Article in journal (Refereed)
    Abstract [en]

    We report that magnetron sputtering can be applied to synthesize MAX-phase films of several systems including Ti–Si–C, Ti–Ge–C, Ti–Al–C, and Ti–Al–N. In particular, epitaxial films of the known phases Ti3SiC2, Ti3GeC2, Ti2GeC, Ti3AlC2, Ti2AlC, and Ti2AlN as well as the newly discovered thin film phases Ti4SiC3, Ti4GeC3 and intergrown structures can be deposited at 900–1000 °C on Al2O3(0001) and MgO(111) pre-seeded with TiC or Ti(Al)N. From XTEM and AFM we suggest a growth and nucleation model where MAX-phase nucleation is initiated at surface steps or facets on the seed layer and followed by lateral growth. Differences between the growth behavior of the systems with respect to phase distribution and phase stabilities are discussed. Characterization of mechanical properties for Tin+1Si–Cn films with nanoindentation show decreased hardness from about 25 to 15 GPa upon penetration of the basal planes with characteristic large plastic deformation with pile up dependent on the choice of MAX material. This is explained by cohesive delamination of the basal planes and kink band formation, in agreement with the observations made for bulk material. Measurements of the electrical resistivity for Ti–Si–C and Ti–Al–N films with four-point probe technique show values of 30 and 39 μΩ cm, respectively, comparable to bulk materials.

  • 78.
    Isberg, Peter
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Eklund, Per
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Emmerlich, Jens
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Hultman, Lars
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Högberg, Hans
    Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Ljungcrantz, Henrik
    Impact Coatings AB.
    Amorphous and nanocomposite MAX compounds for wear protective coatings on components and tools as well as electrical contacts2005Patent (Other (popular science, discussion, etc.))
  • 79.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Effect of point defects on the electronic density of states of ScN studied by first-principles calculations and implications for thermoelectric properties2012In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 86, no 19Article in journal (Refereed)
    Abstract [en]

    We have investigated the effect of defects and impurities on the electronic density of states of scandium nitride using first-principles calculations with the generalized gradient approximation and hybrid functionals for the exchange correlation energy. Our results show that Sc and N vacancies can introduce asymmetric peaks in the density of states close to the Fermi level. We also find that the N vacancy states are sensitive to total electron concentration of the system due to their possibility for spin polarization. Substitutional point defects shift the Fermi level in the electronic band according to their valence but do not introduce sharp features. The energetics and electronic structure of defect pairs are also studied. By using hybrid functional calculations, a correct description of the band gap of scandium nitride is obtained. Our results envisage ways for improving the thermoelectric figure of merit of ScN by electronic structure engineering through stoichiometry tuning and doping.

  • 80.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phase stability of ScN-based solid solutions for thermoelectric applications from first-principles calculations2013In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 114, no 7Article in journal (Refereed)
    Abstract [en]

    We have used first-principles calculations to investigate the trends in mixing thermodynamics of ScN-based solid solutions in the cubic B1 structure. 13 different Sc1−xMxN (M = Y, La, Ti, Zr, Hf, V, Nb, Ta, Gd, Lu, Al, Ga, In) and three different ScN1−xAx (A = P, As, Sb) solid solutions are investigated and their trends for forming disordered or ordered solid solutions or to phase separate are revealed. The results are used to discuss suitable candidate materials for different strategies to reduce the high thermal conductivity in ScN-based systems, a material having otherwise promising thermoelectric properties for medium and high temperature applications. Our results indicate that at a temperature of T = 800 °C, Sc1−xYxN; Sc1−xLaxN; Sc1−xGdxN, Sc1−xGaxN, and Sc1−xInxN; and ScN1−xPx, ScN1−xAsx, and ScN1−xSbx solid solutions have phase separation tendency, and thus, can be used for forming nano-inclusion or superlattices, as they are not intermixing at high temperature. On the other hand, Sc1−xTixN, Sc1−xZrxN, Sc1−xHfxN, and Sc1−xLuxN favor disordered solid solutions at T = 800 °C. Thus, the Sc1−xLuxN system is suggested for a solid solution strategy for phonon scattering as Lu has the same valence as Sc and much larger atomic mass.

  • 81.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Buchholt, Kristina
    Linköping University, Department of Physics, Chemistry and Biology, Applied Physics. Linköping University, The Institute of Technology.
    Tengstrand, Olof
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phase-stabilization and substrate effects on nucleation and growth of (Ti,V)(n+1)GeC(n) thin films2011In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 110, no 5, article id 053516Article in journal (Refereed)
    Abstract [en]

    Phase-pure epitaxial thin films of (Ti,V)(2)GeC have been grown onto Al(2)O(3)(0001) substrates via magnetron sputtering. The c lattice parameter is determined to be 12.59 A, corresponding to a 50/50 Ti/V solid solution according to Vegards law, and the overall (Ti,V): Ge: C composition is 2:1:1 as determined by elastic recoil detection analysis. The minimum temperature for the growth of (Ti,V)(2)GeC is 700 degrees C, which is the same as for Ti(2)GeC but higher than that required for V(2)GeC (450 degrees C). Reduced Ge content yields films containing (Ti,V)(3)GeC(2) and (Ti,V)(4)GeC(3). These results show that the previously unknown phases V(3)GeC(2) and V(4)GeC(3) can be stabilized through alloying with Ti. For films grown on 4H-SiC(0001), (Ti,V)(3)GeC(2) was observed as the dominant phase, showing that the nucleation and growth of (Ti,V)(n+1)GeC(n) is affected by the choice of substrate; the proposed underlying physical mechanism is that differences in the local substrate temperature enhance surface diffusion and facilitate the growth of the higher-order phase (Ti,V)(3)GeC(2) compared to (Ti,V)(2)GeC.

  • 82.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eriksson, Fredrik
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Sun, Bo
    Department of Mechanical Engineering, National University of Singapore, Block EA, Singapore.
    Kan Koh, Yee
    Department of Mechanical Engineering, National University of Singapore, Block EA, Singapore.
    Van Nong, Ngo
    Dept. of Energy Conversion and Storage, Technical University of Denmark, Risø Campus, Denmark.
    Balke, Benjamin
    Institute of Inorganic and Analytical Chemistry, Johannes Gutenberg University, Germany.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Experimental and Theoretical Investigation of Cr1-xScxN Solid Solutions for Thermoelectric Applications2016In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 120, no 21, article id 215103Article in journal (Refereed)
    Abstract [en]

    We investigate the trends in mixing thermodynamics of Cr1-xScxN solid solutions in the cubic B1 structure and their electronic density of state by first-principle calculations, and thin-film synthesis of Cr1-xScxN solid solutions by reactive dc magnetron sputtering. Films with the composition Cr0.92Sc0.08N exhibit a thermoelectric power factor of about 8x10-4 Wm-1K-2at 770 K, similar to CrN. The results show that the disordered Cr1-xScxN solid solutions is thermodynamically stable in B1 solid solutions at T = 800°C rather than in the B1- L11 ordered solid solutions stable at 0 K. The calculated electronic density of state (DOS) indicates a positive bowing parameter for the electronic band gap of Cr1-xScxN solid solutions. The calculated DOS suggest possible improvement of power factor due to Sc 3d orbital delocalization on Cr 3d orbital gives decreasing electrical resistivity with retained Seebeck coefficient in Cr-rich regime, consistent with the experimentally observed high power factor for the solid solution.

  • 83.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rensselaer Polytech Institute, NY 12180 USA.
    Hellman, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. CALTECH, CA 91125 USA.
    Sun, Bo
    National University of Singapore, Singapore.
    Kan Koh, Yee
    National University of Singapore, Singapore.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Van Nong, Ngo
    Department of Energy Conversion and Storage, Technical University of Denmark, Risø Campus, Roskilde, Denmark.
    Simak, Sergei I.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Max Planck Institute Eisenforsch GmbH, Germany.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth2017In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 96, no 19, article id 195417Article in journal (Refereed)
    Abstract [en]

    The knowledge of lattice thermal conductivity of materials under realistic conditions is vitally important since many modern technologies require either high or low thermal conductivity. Here, we propose a theoretical model for determining lattice thermal conductivity, which takes into account the effect of microstructure. It is based on ab initio description that includes the temperature dependence of the interatomic force constants and treats anharmonic lattice vibrations. We choose ScN as a model system, comparing the computational predictions to the experimental data by time-domain thermoreflectance. Our experimental results show a trend of reduction in lattice thermal conductivity with decreasing domain size predicted by the theoretical model. These results suggest a possibility to control thermal conductivity by microstructural tailoring and provide a predictive tool for the effect of the microstructure on the lattice thermal conductivity of materials based on ab initio calculations.

  • 84.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hellman, Olle
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology. Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, USA.
    Sun, Bo
    Department of Mechanical Engineering, National University of Singapore, Block EA, Singapore..
    Koh, Yee Kan
    Department of Mechanical Engineering, National University of Singapore, Block EA, Singapore..
    Van Nong, Ngo
    Dept. of Energy Conversion and Storage, Technical University of Denmark, Risø Campus, Denmark.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Simak, Sergei I.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, The Institute of Technology.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phonon Thermal Conductivity of Scandium Nitride for Thermoelectric Applications from First-Principles CalculationsManuscript (preprint) (Other academic)
    Abstract [en]

    The knowledge of lattice thermal conductivity of materials under realistic conditions is vitally important since most technologies either require either high or low thermal conductivity. Here, we propose a theoretical model for determining lattice thermal conductivity with the effect of microstructure. This is based on ab initio description that includes the temperature dependence of the interatomic force constants, and treats anharmonic lattice vibrations. We choose ScN as a model system, comparing the computational predictions with the experimental data by Time Domain Thermoreflectance (TDTR). Our results show a trend of reduction in lattice thermal conductivity with decreasing grain size, with good agreement between the theoretical model and experimental data. There results suggest a possibility to control thermal conductivity by tailoring the microstructure of ScN. More importantly, we provide a predictive tool for the effect of the microstructure on the lattice thermal conductivity of materials based on first-principles calculations.

  • 85.
    Kerdsongpanya, Sit
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Van Nong, Ngo
    Technical University of Denmark.
    Pryds, Nini
    Technical University of Denmark.
    Zukauskaite, Agne
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Wingqvist, Gunilla
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Anomalously high thermoelectric power factor in epitaxial ScN thin films2011In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 99, no 23, p. 232113-Article in journal (Refereed)
    Abstract [en]

    Thermoelectric properties of ScN thin films grown by reactive magnetron sputtering on Al2O3(0001) wafers are reported. X-ray diffraction and elastic recoil detection analyses show that the composition of the films is close to stoichiometry with trace amounts (similar to 1 at. % in total) of C, O, and F. We found that the ScN thin-film exhibits a rather low electrical resistivity of similar to 2.94 mu Omega m, while its Seebeck coefficient is approximately similar to-86 mu V/K at 800 K, yielding a power factor of similar to 2.5 x 10(-3) W/mK(2). This value is anomalously high for common transition-metal nitrides.

  • 86.
    Khatibi, Ali
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Genvad, Axel
    Sandvik Coromant AB, Materials and Processes R&D, Stockholm, Sweden.
    Göthelid, Emmanuelle
    Sandvik Coromant AB, Materials and Processes R&D, Stockholm, Sweden.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Structural and Mechanical Properties of (AlxCr1-x)2+yO3-y Coatings Grown by Reactive Cathodic Arc Evaporation in As-deposited and Annealed States2013In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 61, no 13, p. 4811-4822Article in journal (Refereed)
    Abstract [en]

    Coatings of (AlxCr1-x)2+yO3-y with 0.51≤x≤0.84 and 0.1≤y≤0.5 were deposited on hard cemented carbides substrates in an industrial cathodic arc evaporation system from powder-metallurgy prepared Cr/Al targets in pure O2 and O2+N2 atmospheres. The substrate temperature and bias in all the deposition runs were 575 °C and -120 V, respectively. The composition of the coatings measured by energy dispersive x-ray spectroscopy and elastic recoil detection analysis was the same as that of the targets. Microstructure analyses performed by symmetrical X-ray diffraction and transmission electron microscopy showed that corundum, cubic or mixed-phase coatings formed depending on the Cr/Al ratio of the coatings and O2 flow per activetarget during deposition. The corundum phase was promoted by high Cr content and high O2 flow per target, while the cubic phase was mostly observed for high Al content and low O2 flow per active target. In situ annealing of the cubic coatings resulted in phase transformation from cubic to corundum completed in the temperature range of 900-1100 °C, while corundum coatings retained their structure in the same range of annealing temperatures. Nanoindentation hardness of the coatings with Cr/Al ratio < 0.4 was 26-28 GPa, regardless of the structure. Increasing the Cr content of the coatings resulted in increased hardness of 28-30 GPa for corundum coatings. Wear resistance testing in a turning operation showed that coatings of Al-Cr-O have improved resistance to crater wear at the cost of flank wear compared to TiAlN coatings.

  • 87.
    Khatibi, Ali
    et al.
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Phase transformations in face centered cubic (Al0.32Cr0.68)(2)O-3 thin films2012In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 206, no 14, p. 3216-3222Article in journal (Refereed)
    Abstract [en]

    Face centered cubic (Al0.32Cr0.68)(2)O-3 thin films have been annealed in the temperature range of 500-1000 degrees C during 2-8 h. The fcc structure of the film remains intact when annealed at temperatures up to 700 degrees C for 8 h. X-ray diffraction and transmission electron microscopy show the onset of phase transformation to corundum phase alloys in the sample annealed at 900 degrees C for 2 h, where annealing at 1000 degrees C for 2 h results in complete phase transformation to alpha-(Al0.32Cr0.68)(2)O-3. In-plane and out-of-plane line scans performed in EDX TEM and theta/2 theta XRD patterns did not show any phase separation into alpha-Cr2O3 and Al2O3 prior and after the annealing. The apparent activation energy of this process is 380-480 kJ/mol as determined by the Johnson-Mehl-Avrami model.

  • 88.
    Khatibi, Ali
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Palisaitis, Justinas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Höglund, Carina
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eriksson, Anders
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Persson, Per O. Å.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Face-Centered Cubic (Al1-xCrx)2O32011In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 519, no 8, p. 2426-2429Article in journal (Refereed)
    Abstract [en]

    We report the discovery of a face-centered cubic (Al1−xCrx)2O3 solid solution [0.60bxb0.70] in films grownonto Si substrates using reactive radio frequency magnetron sputtering from Al and Cr targets at 400 °C. Theproposed structure is NaCl-like with 33% vacancies on the metal sites. The unit cell parameter is 4.04 Å asdetermined by X-ray diffraction. The films have a b100N preferred crystallographic orientation and exhibithardness values up to 26 GPa and an elastic modulus of 220–235 GPa.

  • 89.
    Khatibi, Ali
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Sjolen, J.
    SECO Tools AB, Sweden .
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Structural and mechanical properties of Cr-Al-O-N thin films grown by cathodic arc deposition2012In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 60, no 19, p. 6494-6507Article in journal (Refereed)
    Abstract [en]

    Coatings of (CrxAl1-x)(delta)(O1-yNy)(xi) with 0.33 less than= x less than= 0.96, 0 less than= y less than= 1 and 0.63 less than= delta/xi less than= 1.30 were deposited using cathodic arc evaporation in N-2/O-2 reactive gas mixtures on 50 V negatively biased WC-10 wt.% Co substrates from different Cr and Al alloys with three different Cr/Al compositional ratios. For N-2 less than 63% of the total gas, ternary (Cr,Al)(2)O-3 films containing less than1 at.% of N forms; as determined by elastic recoil detection analysis. Increasing the N-2 fraction to 75% and above results in formation of quaternary oxynitride films. Phase analyses of the films by X-ray diffraction, transmission electron microscopy and X-ray photoelectron spectroscopy show the predominance of cubic Cr-Al-N and cubic-(Cr,Al)(2)O-3 solid solutions and secondary hexagonal alpha-(Cr,Al)(2)O-3 solid solution. High Cr and Al contents result in films with higher roughness, while high N and O contents result in smoother surfaces. Nanoindentation hardness measurements showed that Al-rich oxide or nitride films have hardness values of 24-28 GPa, whereas the oxynitride films have a hardness of similar to 30 GPa, regardless of the Cr and Al contents. Metal cutting performance tests showed that the good wear properties are mainly correlated to the oxygen-rich coatings, regardless of the cubic or corundum fractions.

  • 90.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Fashandi, Hossein
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Palisaitis, Justinas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Persson, Per O A
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Phase formation of nanolaminated Mo2AuC and Mo-2(Au1-xGax)(2)C by a substitutional reaction within Au-capped Mo2GaC and Mo2Ga2C thin films2017In: Nanoscale, ISSN 2040-3364, E-ISSN 2040-3372, Vol. 9, no 45, p. 17681-17687Article in journal (Refereed)
    Abstract [en]

    Au-containing nanolaminated carbides Mo2AuC and Mo-2(Au1-xGax)(2)C were synthesized by a thermally induced substitutional reaction in Mo2GaC and Mo2Ga2C, respectively. The Au substitution of the Ga layers in the structures was observed using cross-sectional high-resolution scanning transmission electron microscopy. Expansion of c lattice parameters was also observed in the Au-containing phases compared to the original phases. Energy dispersive spectroscopy detected residual Ga in Au-substituted layers of both phases with a peculiar Ga in-plane ordering for Au : Ga = 9 : 1 ratio along the Au-Ga layers in Mo-2(Au1-xGax)(2)C. These results indicate a generalization of the Au substitution reaction for the A elements in MAX phases.

  • 91.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Meshkian, Rahele
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Dahlqvist, Martin
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Näslund, Lars-Åke
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rivin, O.
    Nucl Research Centre Negev, Israel.
    Caspi, E. N.
    Nucl Research Centre Negev, Israel.
    Ozeri, O.
    Soreq Nucl Research Centre, Israel.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Structural and chemical determination of the new nanolaminated carbide Mo2Ga2C from first principles and materials analysis2015In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 99, p. 157-164Article in journal (Refereed)
    Abstract [en]

    Following our recent discovery of a new nanolaminated carbide, Mo2Ga2C, we herein present a detailed structural and chemical analysis of this phase based on ab initio calculations, X-ray photoelectron spectroscopy, high resolution scanning transmission electron microscopy, and neutron powder diffraction. Calculations suggest an energetically and dynamically stable structure for C in the octahedral sites between the Mo layers, with Ga bilayers - stacked in a simple hexagonal arrangement - between the Mo2C layers. The predicted elastic properties are below those of the related nanolaminate Mo2GaC. The predicted structure, including lattice parameters and atomic positions, is experimentally confirmed. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • 92.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petruhins, Andrejs
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Farle, Michael
    Univ Duisburg Essen, Germany; Univ Duisburg Essen, Germany; Immanuel Kant Baltic Fed Univ, Russia.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Thermally induced substitutional reaction of Fe into Mo2GaC thin films2017In: MATERIALS RESEARCH LETTERS, ISSN 2166-3831, Vol. 5, no 8, p. 533-539Article in journal (Refereed)
    Abstract [en]

    The first Fe-based MAX phase is realized by solid-state substitution reaction of an Fe/Au/Mo2GaC thin-film diffusion couple, as determined by X-ray diffraction and scanning transmission electron microscopy. Chemical analysis together with elemental mapping reveals that as much as 50 at.% Fe on the A site can be obtained by thermally induced Au and Fe substitution for Ga atomic layers in Mo2GaC. One-sixth of the original Ga is also replaced by Au atoms. When annealing Mo2GaC thin films covered with Fe only, the Mo2GaC phase remains intact, that is, Au acts as a catalyst for the substitution reaction. [GRAPHICS] .

  • 93.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tao, Quanzheng
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Fashandi, Hossein
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Wiedwald, Ulf
    Univ Duisburg Essen, Germany; Natl Univ Sci and Technol MISIS, Russia.
    Salikhov, Ruslan
    Univ Duisburg Essen, Germany.
    Farle, Michael
    Univ Duisburg Essen, Germany; Immanuel Kant Balt Fed Univ, Russia.
    Petruhins, Andrejs
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Magnetic properties and structural characterization of layered (Cr0.5Mn0.5)(2)AuC synthesized by thermally induced substitutional reaction in (Cr0.5Mn0.5)(2)GaC2018In: APL MATERIALS, ISSN 2166-532X, Vol. 6, no 2, article id 026104Article in journal (Refereed)
    Abstract [en]

    The magnetic properties of the new phase (Cr0.5Mn0.5)(2)AuC are compared to the known MAX-phase (Cr0.5Mn0.5)(2)GaC, where the former was synthesized by thermally induced substitution reaction of Au for Ga in (Cr0.5Mn0.5)(2)GaC. The reaction introduced a lattice expansion of similar to 3% along the c-axis, an enhancement of the coercive field from 30 mT to 140 mT, and a reduction of the Curie temperature and the saturation magnetization. Still, (Cr0.5Mn0.5)(2)AuC displays similar features in the magnetic field-and temperature-dependent magnetization curves as previously reported magnetic MAX phases, e.g., (Cr0.5Mn0.5)(2)GaC and (Mo0.5Mn0.5)(2)GaC. Thework suggests a pathway for tuning the magnetic properties of MAX phases. (c) 2018 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.

  • 94.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tucker, Mark
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Synthesis and characterization of Zr2Al3C4 thin films2015In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 595, p. 142-147Article in journal (Refereed)
    Abstract [en]

    Zr2Al3C4 is an inherently nanolaminated carbide where layers of ZrC alternate with layers of Al3C2. Characterization of bulk samples has shown it has improved damage tolerance and oxidation resistance compared to its binary counterpart ZrC. Though a potential candidate for coatings applied for use in harsh environments, thin films of Zr2Al3C4 have not been reported. We have synthesized epitaxial Zr2Al3C4 thin films by pulsed cathodic arc deposition from three elemental cathodes, and have studied the effect of incident atomic flux ratio, deposition temperature, and choice of substrate on material quality. X-ray diffraction analysis showed that Zr2Al3C4 of the highest structural quality was obtained for growth on 4 H-SiC(001) substrate at 800 degrees C. Also, suppression of competing phases could be achieved on alpha-Al2O3(001) at elevated substrate temperatures. Very similar growth behavior to that of the well-known M(n+1)AX(n) phases - Al supersaturation, binary carbide intergrowth and high sensitivity to choice of substrate - indicates a strong connection between the two families of materials, despite their differences in structure and in chemistry. (C) 2015 Elsevier B.V. All rights reserved.

  • 95.
    Landälv, Ludvig
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Sandvik Coromant AB, Stockholm, Sweden.
    Carlström, C-F
    Sandvik Coromant AB, Stockholm, Sweden.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Primetzhofer, D.
    Applied Nuclear Physics, Department of Physics and Astronomy, Uppsala University, Uppsala, Sweden.
    Jöesaar, M. J.
    SECO Tools AB, Fagersta, Sweden.
    Ahlgren, M.
    Sandvik Coromant AB, Stockholm, Sweden.
    Göthelid, E.
    Sandvik Coromant AB, Stockholm, Sweden.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Phase composition and transformations in magnetron-sputtered (Al,V)2O3 coatings2019In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 688, article id 137369Article in journal (Refereed)
    Abstract [en]

    Coatings of (Al1-xVx)2O3, with x ranging from 0 to 1, were deposited by pulsed DC reactive sputter deposition on Si(100) at a temperature of 550 °C. XRD showed three different crystal structures depending on V-metal fraction in the coating: α-V2O3 rhombohedral structure for 100 at.% V, a defect spinel structure for the intermediate region, 63–42 at.% V. At lower V-content, 18 and 7 at.%, a gamma-alumina-like solid solution was observed, shifted to larger d-spacing compared to pure γ-Al2O3. The microstructure changes from large columnar faceted grains for α-V2O3 to smaller equiaxed grains when lowering the vanadium content towards pure γ-Al2O3. Annealing in air resulted in formation of V2O5 crystals on the surface of the coating after annealing to 500 °C for 42 at.% V and 700 °C for 18 at.% V metal fraction respectively. The highest thermal stability was shown for pure γ-Al2O3-coating, which transformed to α-Al2O3 after annealing to 1100 °C. Highest hardness was observed for the Al-rich oxides, ~24 GPa. The latter decreased with increasing V-content, larger than 7 at.% V metal fraction. The measured hardness after annealing in air decreased in conjunction with the onset of further oxidation of the coatings.

  • 96.
    Landälv, Ludvig
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Sandvik Coromant AB, Sweden.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Spitz, S.
    Karlsruhe Institute Technology, Germany.
    Leiste, H.
    Karlsruhe Institute Technology, Germany.
    Ulrich, S.
    Karlsruhe Institute Technology, Germany.
    Johansson-Jöesaar, Mats P
    Linköping University, Department of Physics, Chemistry and Biology, Nanostructured Materials. Linköping University, Faculty of Science & Engineering. SECO Tools AB, Sweden.
    Ahlgren, M.
    Sandvik Coromant AB, Sweden.
    Gothelid, E.
    Sandvik Coromant AB, Sweden.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Max Planck Institute Eisenforsch GmbH, Germany.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Stueber, M.
    Karlsruhe Institute Technology, Germany.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Structural evolution in reactive RF magnetron sputtered (Cr,Zr)2O3 coatings during annealing2017In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 131, p. 543-552Article in journal (Refereed)
    Abstract [en]

    Reactive RF-magnetron sputtering is used to grow Cr0.28Zr0.10O0.61 coatings at 500 degrees C. Coatings are annealed at 750 degrees C, 810 degrees C, and 870 degrees C. The microstructure evolution of the pseudobinary oxide compound is characterized through high resolution state of the art HRSTEM and HREDX-maps, revealing the segregation of Cr and Zr on the nm scale. The as-deposited coating comprises cc-(Cr,Zr)(2)O-3 solid solution with a Zr-rich (Zr,Cr)O-x. amorphous phase. After annealing to 750 degrees C tetragonal ZrO2 nucleates and grows from the amorphous phase. The ZrO2 phase is stabilized in its tetragonal structure at these fairly low annealing temperatures, possibly due to the small grain size (below 30 nm). Correlated with the nucleation and growth of the tetragonal-ZrO2 phase is an increase in hardness, with a maximum hardness after annealing to 750 degrees C, followed by a decrease in hardness upon coarsening, bcc metallic Cr phase formation and loss of oxygen, during annealing to 870 degrees C. The observed phase segregation opens up future design routes for pseudobinary oxides with tunable microstructural and mechanical properties. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • 97.
    Lane, Nina J.
    et al.
    Drexel University.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Spencer, Charles B.
    Drexel University.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Barsoum, Michel W.
    Drexel University.
    High-temperature stability of alpha-Ta(4)AlC(3)2011In: Materials research bulletin, ISSN 0025-5408, E-ISSN 1873-4227, Vol. 46, no 7, p. 1088-1091Article in journal (Refereed)
    Abstract [en]

    Cold-pressed alpha-Ta(4)AlC(3) powders were annealed up to 1750 degrees C to test first-principles predictions of alpha-beta phase-stability reversal at 1600 degrees C. Up to 1600 degrees C, the alpha-Ta(4)AlC(3) samples were stable with no indications of any alpha-beta transformation, as shown by the strong characteristic X-ray diffraction peaks of alpha-Ta(4)AlC(3) and the zigzag stacking observed by transmission electron microscopy. These results show that, in this experimental situation, high temperature alone is not sufficient to cause the alpha-beta transformation.

  • 98.
    Lane, Nina J
    et al.
    Drexel University, USA .
    Naguib, Michael
    Drexel University,USA .
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Barsoum, Michel W
    Drexel University, USA .
    Comment on "Ti5Al2C3: A New Ternary Carbide Belonging to MAX Phases in the Ti-Al-C System"2012In: Journal of The American Ceramic Society, ISSN 0002-7820, E-ISSN 1551-2916, Vol. 95, no 10, p. 3352-3354Article in journal (Refereed)
    Abstract [en]

    n/a

  • 99.
    Lapauw, T.
    et al.
    Katholieke University of Leuven, Belgium; CEN SCK, Belgium.
    Lambrinou, K.
    CEN SCK, Belgium.
    Cabioch, T.
    University of Poitiers, France.
    Halim, Joseph
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA.
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Pesach, A.
    Nucl Research Centre Negev, Israel.
    Rivin, O.
    Nucl Research Centre Negev, Israel.
    Ozeri, O.
    Soreq Nucl Research Centre, Israel.
    Caspi, E. N.
    Nucl Research Centre Negev, Israel.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Barsoum, Michel
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Drexel University, PA 19104 USA.
    Vleugels, J.
    Katholieke University of Leuven, Belgium.
    Synthesis of the new MAX phase Zr2AlC2016In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 36, no 8, p. 1847-1853Article in journal (Refereed)
    Abstract [en]

    This study reports on the first experimental evidence of the existence of the Zr2AlC MAX phase, synthesised by means of reactive hot pressing of a ZrH2, Al and C powder mixture. The crystal structure of this compound was investigated by X-ray and neutron diffraction. The lattice parameters were determined and confirmed by high-resolution transmission electron microscopy. The effect of varying the synthesis temperature was investigated, indicating a relatively narrow temperature window for the synthesis of Zr2AlC. ZrC was always present as a secondary phase by hot pressing in the 1475-1575 degrees C range.

  • 100.
    Lauridsen, Jonas
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Eklund, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Furlan, A.
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, P.O. Box 538, SE-751 21 Uppsala, Sweden.
    Flink, A.
    Impact Coatings AB, Westmansgatan 29, SE-582 16 Linköping, Sweden.
    Andersson, A. M.
    ABB Corporate Research, Forskargränd 7, SE-721 78, Västerås, Sweden.
    Jansson, U.
    Department of Materials Chemistry, The Ångström Laboratory, Uppsala University, P.O. Box 538, SE-751 21 Uppsala, Sweden.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Effects of A-elements (A = Si, Ge or Sn) on the structure and electrical contact properties of Ti-A-C-Ag nanocomposites2012In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 520, no 16, p. 5128-5136Article in journal (Refereed)
    Abstract [en]

    Ti-A-C-Ag (A is Si, Ge or Sn) nanocomposite coatings have been deposited by dc magnetron sputtering in an ultra high vacuum chamber. Electron microscopy, energy-dispersive x-ray spectroscopy, xray photoelectron spectroscopy, and x-ray diffraction show that all coatings contain nanocrystalline TiC and Ag grains in a matrix of mainly amorphous C. A C/Ti ratio above unity yields a homogenous distribution of Ag with a reduced grain size. From a chemical point of view, the addition of Ge and Sn to the Ti-C-Ag system should increase the conductivity of the coatings since the formation of more metallic phases than Si. We demonstrate that Si can be replaced with Ge and Sn and still yield a homogeneous distribution of Ag. The incorporation of Ge and Sn to the Ti-C-Ag system results in elemental precipitation and intermetallic phases, respectively. This gives improved electrical properties compared to Ti-Si-C-Ag coatings, and a contact resistance at loads of ~1 N against an Au probe (radius of 0.7 mm) that is comparable to that of Ag.

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