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  • 51.
    Magnuson, Martin
    et al.
    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.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Bonding Structures of ZrHx Thin Films by X-ray Spectroscopy2017In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 121, p. 25750-25758Article in journal (Refereed)
    Abstract [en]

    The variation in local atomic structure and chemical bonding of ZrHx (x=0.15, 0.30, 1.16) magnetron sputtered thin films are investigated by Zr K-edge (1s) X-ray absorption near-edge structure and extended X-ray absorption fine structure spectroscopies. A chemical shift of the Zr K-edge towards higher energy with increasing hydrogen content is observed due to charge-transfer and an ionic or polar covalent bonding component between the Zr 4d and the H 1s states with increasing valency for Zr. We find an increase in the Zr-Zr bond distance with increasing hydrogen content from 3.160 Å in the hexagonal closest-packed metal (a-phase) to 3.395 Å in the understoichiometric d-ZrHx film (CaF2-type structure) with x=1.16 that largely resembles that of bulk d-ZrH2. For yet lower hydrogen contents, the structures are mixed a- and d-phases, while sufficient hydrogen loading (x>1) yields a pure δ-phase that is understoichiometric, but thermodynamically stable. The change in the hydrogen content and strain is discussed in relation to the corresponding change of bond lengths, hybridizations, and trends in electrical resistivity.

  • 52.
    Greczynski, Grzegorz
    et al.
    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.
    C1s Peak of Adventitious Carbon Aligns to the Vacuum Level: Dire Consequences for Materials Bonding Assignment by Photoelectron Spectroscopy2017In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 18, no 12, p. 1507-1512Article in journal (Refereed)
    Abstract [en]

    The C1s signal from ubiquitous carbon contamination on samples forming during air exposure, so called adventitious carbon (AdC) layers, is the most common binding energy (BE) reference in X-ray photoelectron spectroscopy studies. We demonstrate here, by using a series of transition-metal nitride films with different AdC coverage, that the BE of the C1s peak E-B(F) varies by as much as 1.44 eV. This is a factor of 10 more than the typical resolvable difference between two chemical states of the same element, which makes BE referencing against the C1s peak highly unreliable. Surprisingly, we find that C1s shifts correlate to changes in sample work function phi(SA), such that the sum E-B(F) + phi(SA) is constant at 289.50 +/- 0.15 eV, irrespective of materials system and air exposure time, indicating vacuum level alignment. This discovery allows for significantly better accuracy of chemical state determination than offered by the conventional methods. Our findings are not specific to nitrides and likely apply to all systems in which charge transfer at the AdC/substrate interface is negligible.

  • 53.
    Bakoglidis, Konstantinos
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Glenat, Herve
    Technosud, France.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Schmidt, Susann
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Grillo, Stefano
    Technosud, France; University of Perpignan, France.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Broitman, Esteban
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
    Comparative study of macro- and microtribological properties of carbon nitride thin films deposited by HiPIMS2017In: Wear, ISSN 0043-1648, E-ISSN 1873-2577, Vol. 370Article in journal (Refereed)
    Abstract [en]

    The macro- and microtribological properties of carbon nitride thin films deposited by high power impulse magnetron sputtering at different substrate bias voltages (V-b) were investigated. V-b of -100, -150, -200, and-300 V were used. A Hysitron Triboindenter TI950 and a reciprocating Tribotechnic tribometer with diamond counterparts were used in order to assess the tribological performance of the films at the micro- and macroscale, respectively. Initial Hertzian contact pressures of 2.5 GPa, 3.3 GPa and 3.9 GPa were chosen for the comparative measurements at both scales. At the macroscale, films with higher initial roughness present an increased wear. Debris creation and asperity deformation takes place causing abrasive wear. At the microscale, compression of the surface material occurs. The run-in friction shows similar trends at both scales; an initial decrease and an increase thereafter. Steady-state friction is not reached at the microscale, attributed to the absence of a graphitic tribolayer in the contact. At the macroscale, all films show abrasive wear and debris creation. Here, the changes in friction coefficients are attributed to the debris loss from the contact during the tribotests. The CN film tested at 2.5 GPa shows a continuous increase of friction, due to the continuous loss of debris from the contact. The other films reach a steady-state friction coefficient, since most of the debris is lost before the end of the tribotests. (C) 2016 Elsevier B.V. All rights reserved.

  • 54.
    Saha, Bivas
    et al.
    University of Calif Berkeley, CA 94720 USA.
    Garbrecht, Magnus
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Perez-Taborda, Jaime A.
    CSIC, Spain.
    Fawey, Mohammed H.
    Karlsruhe Institute Technology, Germany; TUD, Germany.
    Rui Koh, Yee
    Purdue University, IN 47907 USA; Purdue University, IN 47907 USA.
    Shakouri, Ali
    Purdue University, IN 47907 USA; Purdue University, IN 47907 USA.
    Martin-Gonzalez, Marisol
    CSIC, Spain.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Sands, Timothy D.
    Virginia Tech, VA 24061 USA; Virginia Tech, VA 24061 USA.
    Compensation of native donor doping in ScN: Carrier concentration control and p-type ScN2017In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 110, no 25, article id 252104Article in journal (Refereed)
    Abstract [en]

    Scandium nitride (ScN) is an emerging indirect bandgap rocksalt semiconductor that has attracted significant attention in recent years for its potential applications in thermoelectric energy conversion devices, as a semiconducting component in epitaxial metal/semiconductor superlattices and as a substrate material for high quality GaN growth. Due to the presence of oxygen impurities and native defects such as nitrogen vacancies, sputter-deposited ScN thin-films are highly degenerate n-type semiconductors with carrier concentrations in the (1-6) x 10(20) cm(-3) range. In this letter, we show that magnesium nitride (MgxNy) acts as an efficient hole dopant in ScN and reduces the n-type carrier concentration, turning ScN into a p-type semiconductor at high doping levels. Employing a combination of high-resolution X-ray diffraction, transmission electron microscopy, and room temperature optical and temperature dependent electrical measurements, we demonstrate that p-type Sc1-xMgxN thin-film alloys (a) are substitutional solid solutions without MgxNy precipitation, phase segregation, or secondary phase formation within the studied compositional region, (b) exhibit a maximum hole-concentration of 2.2 x 10(20) cm(-3) and a hole mobility of 21 cm(2)/Vs, (c) do not show any defect states inside the direct gap of ScN, thus retaining their basic electronic structure, and (d) exhibit alloy scattering dominating hole conduction at high temperatures. These results demonstrate MgxNy doped p-type ScN and compare well with our previous reports on p-type ScN with manganese nitride (MnxNy) doping. Published by AIP Publishing.

  • 55.
    Petrov, Ivan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Hall, Allen
    University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Mei, Antonio B.
    University of Illinois, IL 61801 USA.
    Nedfors, Nils
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Zhirkov, Igor
    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.
    Reed, Amber
    Mat and Mfg Directorate, OH 45431 USA.
    Howe, Brandon
    Mat and Mfg Directorate, OH 45431 USA.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    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.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Controlling the boron-to-titanium ratio in magnetron-sputter-deposited TiBx thin films2017In: Journal of Vacuum Science & Technology. A. Vacuum, Surfaces, and Films, ISSN 0734-2101, E-ISSN 1520-8559, Vol. 35, no 5, article id 050601Article in journal (Refereed)
    Abstract [en]

    Magnetron sputter-deposited TiBx films grown from TiB2 targets are typically highly overstoichiometric with x ranging from 3.5 to 2.4 due to differences in Ti and B preferential ejection angles and gasphase scattering during transport between the target and the substrate. The authors show that the use of highly magnetically unbalanced magnetron sputtering leads to selective ionization of sputter-ejected Ti atoms which are steered via an external magnetic field to the film, thus establishing control of the B/Ti ratio with the ability to obtain stoichiometric TiB2 films over a wide range in Ar sputtering pressures. (C) 2017 American Vacuum Society.

  • 56.
    Greczynski, Grzegorz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Primetzhofer, D.
    Uppsala University, Sweden.
    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.
    Core-level spectra and binding energies of transition metal nitrides by non-destructive x-ray photoelectron spectroscopy through capping layers2017In: Applied Surface Science, ISSN 0169-4332, E-ISSN 1873-5584, Vol. 396, p. 347-358Article in journal (Refereed)
    Abstract [en]

    We present the first measurements of x-ray photoelectron spectroscopy (XPS) core level binding energies (BE: s) for the widely-applicable group IVb-VIb polycrystalline transition metal nitrides (TMNs) TiN, VN, CrN, ZrN, NbN, MoN, HfN, TaN, and WN as well as AlN and SiN, which are common components in the TMN-based alloy systems. Nitride thin film samples were grown at 400.degrees C by reactive dc magnetron sputtering from elemental targets in Ar/ N-2 atmosphere. For XPS measurements, layers are either (i) Ar+ ion-etched to remove surface oxides resulting from the air exposure during sample transfer from the growth chamber into the XPS system, or (ii) in situ capped with a few nm thick Cr or W overlayers in the deposition system prior to air-exposure and loading into the XPS instrument. Film elemental composition and phase content is thoroughly characterized with time-of-flight elastic recoil detection analysis (ToF(-) ERDA), Rutherford backscattering spectrometry (RBS), and x-ray diffraction. High energy resolution core level XPS spectra acquired with monochromatic Al K alpha radiation on the ISO-calibrated instrument reveal that even mild etching conditions result in the formation of a nitrogen-deficient surface layer that substantially affects the extracted binding energy values. These spectra-modifying effects of Ar+ ion bombardment increase with increasing the metal atom mass due to an increasing nitrogen-to-metal sputter yield ratio. The superior quality of the XPS spectra obtained in a non-destructive way from capped TMN films is evident from that numerous metal peaks, including Ti 2p, V 2p, Zr 3d, and Hf 4f, exhibit pronounced satellite features, in agreement with previously published spectra from layers grown and analyzed in situ. In addition, the N/ metal concentration ratios are found to be 25-90% higher than those obtained from the corresponding ion-etched surfaces, and in most cases agree very well with the RBS and ToF-E ERDA values. The N 1 s BE: s extracted from capped TMN films, thus characteristic of a native surface, show a systematic trend, which contrasts with the large BE spread of literature "reference" values. Hence, non-destructive core level XPS employing capping layers provides an opportunity to obtain high-quality spectra, characteristic of virgin in situ grown and analyzed TMN films, although with larger versatility, and allows for extracting core level BE values that are more reliable than those obtained from sputter-cleaned N-deficient surfaces. Results presented here, recorded from a consistent set of binary TMNs grown under the same conditions and analyzed in the same instrument, provide a useful reference for future XPS studies of multinary materials systems allowing for true deconvolution of complex core level spectra. (C) 2016 Elsevier B. V. All rights reserved.

  • 57.
    Palisaitis, Justinas
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hsiao, Ching-Lien
    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.
    Birch, Jens
    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.
    Core-shell formation in self-induced InAlN nanorods2017In: Nanotechnology, ISSN 0957-4484, E-ISSN 1361-6528, Vol. 28, no 11, article id 115602Article in journal (Refereed)
    Abstract [en]

    We have examined the early stages of self-induced InAlN core-shell nanorod (NR) formation processes on amorphous carbon substrates in plan-view geometry by means of transmission electron microscopy methods. The results show that the grown structure phase separates during the initial moments of deposition into a majority of Al-rich InAlN and a minority of In-enriched InAlN islands. The islands possess polygonal shapes and are mainly oriented along a crystallographic c-axis. The growth proceeds with densification and coalescence of the In-enriched islands, resulting in a base for the In-enriched NR cores with shape transformation to hexagonal. The Al-rich shell formation around such early cores is observed at this stage. The matured core-shell structure grows axially and radially, eventually reaching a steady growth state which is dominated by the axial NR growth. We discuss the NR formation mechanism by considering the adatom surface kinetics, island surface energy, phase separation of InAlN alloys, and incoming flux directions during dual magnetron sputter epitaxy.

  • 58.
    Palisaitis, Justinas
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hsiao, Ching-Lien
    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.
    Birch, Jens
    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.
    Direct observation of spinodal decomposition phenomena in InAlN alloys during in-situ STEM heating2017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 44390Article in journal (Refereed)
    Abstract [en]

    The spinodal decomposition and thermal stability of thin In0.72Al0.28N layers and In0.72Al0.28N/AlN superlattices with AlN(0001) templates on Al2O3(0001) substrates was investigated by in-situ heating up to 900 degrees C. The thermally activated structural and chemical evolution was investigated in both plan-view and cross-sectional geometries by scanning transmission electron microscopy in combination with valence electron energy loss spectroscopy. The plan-view observations demonstrate evidence for spinodal decomposition of metastable In0.72Al0.28N after heating at 600 degrees C for 1 h. During heating compositional modulations in the range of 2-3 nm-size domains are formed, which coarsen with applied thermal budgets. Cross-sectional observations reveal that spinodal decomposition begin at interfaces and column boundaries, indicating that the spinodal decomposition has a surface-directed component.

  • 59.
    Garbrecht, Magnus
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Saha, Bivas
    University of Calif Berkeley, CA 94720 USA.
    Schroeder, Jeremy
    Linköping University, Department of Physics, Chemistry and Biology. 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.
    Sands, Timothy D.
    Virginia Tech, VA 24061 USA; Virginia Tech, VA 24061 USA.
    Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution2017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 46092Article in journal (Refereed)
    Abstract [en]

    Device failure from diffusion short circuits in microelectronic components occurs via thermally induced migration of atoms along high-diffusivity paths: dislocations, grain boundaries, and free surfaces. Even well-annealed single-grain metallic films contain dislocation densities of about 1014 m-2; hence dislocation-pipe diffusion (DPD) becomes a major contribution at working temperatures. While its theoretical concept was established already in the 1950s and its contribution is commonly measured using indirect tracer, spectroscopy, or electrical methods, no direct observation of DPD at the atomic level has been reported. We present atomically-resolved electron microscopy images of the onset and progression of diffusion along threading dislocations in sequentially annealed nitride metal/semiconductor superlattices, and show that this type of diffusion can be independent of concentration gradients in the system but governed by the reduction of strain fields in the lattice.

  • 60.
    Edström, Daniel
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Sangiovanni, Davide
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Ruhr University of Bochum, Germany.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Chirita, Valeriu
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Effects of incident N atom kinetic energy on TiN/TiN(001) film growth dynamics: A molecular dynamics investigation2017In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 121, no 2, article id 025302Article in journal (Refereed)
    Abstract [en]

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

  • 61.
    Magnuson, Martin
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Schmidt, Susann
    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.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Electronic properties and bonding in ZrHx thin films investigated by valence-bandx-ray photoelectron spectroscopy2017In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 96, no 19, article id 195103Article in journal (Refereed)
    Abstract [en]

    The electronic structure and chemical bonding in reactively magnetron sputtered ZrHx (x = 0.15, 0.30, 1.16)thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level,and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significantreduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H1s–Zr 4d hybridization region at ∼6 eV below the Fermi level. For low hydrogen content (x = 0.15, 0.30), thefilms consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ-ZrHx(CaF2-type structure) phases, while for x = 1.16, the films form single-phase ZrHx that largely resembles thatof stoichiometric δ-ZrH2 phase. We show that the cubic δ-ZrHx phase is metastable as thin film up to x = 1.16,while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated ZrH1.16film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4p3/2 and 3d5/2peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifiesa charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemicalshifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affectsthe conductivity by charge redistribution in the valence band.

  • 62.
    Greczynski, Grzegorz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rhein Westfal TH Aachen, Germany.
    Mraz, S.
    Rhein Westfal TH Aachen, Germany.
    Ruess, H.
    Rhein Westfal TH Aachen, Germany.
    Hans, M.
    Rhein Westfal TH Aachen, Germany.
    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.
    Schneider, J. M.
    Rhein Westfal TH Aachen, Germany.
    Extended metastable Al solubility in cubic VAlN by metal-ion bombardment during pulsed magnetron sputtering: film stress vs subplantation2017In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 122, no 2, article id 025304Article in journal (Refereed)
    Abstract [en]

    Dynamic ion-recoil mixing of near-film-surface atomic layers is commonly used to increase the metastable solubility limit x(max) in otherwise immiscible thin film systems during physical vapor deposition. Recently, Al subplantation achieved by irradiating the film growth surface with Al+ metal-ion flux was shown to result in an unprecedented x(max) for VAlN, far above values obtained with gas ion irradiation. However, it is reasonable to assume that ion irradiation necessary for subplantation also leads to a compressive stress sigma buildup. In order to separate the effects of Al+ bombardment on sigma and x(max), and realize low-stress high-x(max) nitride alloys, we grow metastable cubic V1-xAlxN (0.17 amp;lt;= x amp;lt;= 0.74) films using reactive magnetron sputtering under different ion irradiation conditions. Al and V targets are operated in Ar/N-2 discharges employing (i) conventional DC (Ar+, N-2(+)), (ii) hybrid High-power pulsed magnetron sputtering (HIPIMS)/DC processing with one type of metal ion present (Al+ or V+/V2+), and (iii) HIPIMS with concurrent Al+ and V+/V2+ fluxes. Comparison to the ab initio calculated Al solubility limit reveals that x(max) = 0.55 achieved with V+/V2+ irradiation is entirely accountable for by stress. In contrast, Al+ fluxes provide a substantial increase in x(max) to 0.63, which is 12% higher than that expected based on the stress-induced increase in metastable solubility. Correlative stress and atom probe tomography data confirm that the metastable Al solubility enhancement is enabled by Al+ subplantation. The here proposed processing strategy allows for growth of single-phase cubic nitride alloys with significantly increased Al concentrations embodying tremendous promise for substantial improvements in high temperature oxidation resistance and mitigates the risk of stress-induced adhesive or cohesive coating failure. Published by AIP Publishing.

  • 63.
    Fager, Hanna
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tengstrand, Olof
    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.
    Bolz, S.
    CemeCon AG, Germany.
    Mesic, B.
    CemeCon AG, Germany.
    Koelker, W.
    CemeCon AG, Germany.
    Schiffers, Ch.
    CemeCon AG, Germany.
    Lemmer, O.
    CemeCon AG, Germany.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Low-temperature growth of dense and hard Ti0.41Al0.51Ta0.08N films via hybrid HIPIMS/DC magnetron co-sputtering with synchronized metal-ion irradiation2017In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 121, no 17, article id 171902Article in journal (Refereed)
    Abstract [en]

    Hard Ti1-xAlxN thin films are of importance for metal-cutting applications. The hardness, thermal stability, and oxidation resistance of these coatings can be further enhanced by alloying with TaN. We use a hybrid high-power pulsed and dc magnetron co-sputtering (HIPIMS/DCMS) technique to grow dense and hard Ti0.41Al0.51Ta0.08N alloys without external heating (T-s amp;lt; 150 degrees C). Separate Ti and Al targets operating in the DCMS mode maintain a deposition rate of similar to 50 nm/min, while irradiation of the growing film by heavy Ta+/Ta2+ ions from the HIPIMS-powered Ta target, using dc bias synchronized to the metal-ion-rich part of each HIPIMS pulse, provides effective near-surface atomic mixing resulting in densification. The substrate is maintained at floating potential between the short bias pulses to minimize Ar+ bombardment, which typically leads to high compressive stress. Transmission and scanning electron microscopy analyses reveal dramatic differences in the microstructure of the co-sputtered HIPIMS/DCMS films (Ta-HIPIMS) compared to films with the same composition grown at floating potential with all targets in the DCMS mode (Ta-DCMS). The Ta-DCMS alloy films are only similar to 70% dense due to both inter-and intra-columnar porosity. In contrast, the Ta-HIPIMS layers exhibit no inter-columnar porosity and are essentially fully dense. The mechanical properties of Ta-HIPIMS films are significantly improved with hardness and elastic modulus values of 28.0 and 328 GPa compared to 15.3 and 289 GPa for reference Ta-DCMS films. Published by AIP Publishing.

  • 64.
    Elhag, Sami
    et al.
    Linköping University, Department of Science and Technology. Linköping University, Faculty of Science & Engineering.
    Tordera, Daniel
    Linköping University, Department of Science and Technology. Linköping University, Faculty of Science & Engineering.
    Deydier, T
    Department of Material Engineering, University of Toulon, FR-83041 Toulon, France .
    Lu, Jun
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    LiU, Xianjie
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Khranovskyy, Volodymyr
    Linköping University, Faculty of Science & Engineering. Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Willander, Magnus
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Jonsson, Magnus
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Nur, Omer
    Linköping University, Department of Science and Technology, Physics and Electronics. Linköping University, Faculty of Science & Engineering.
    Low-temperature growth of polyethylene glycol-doped BiZn2VO6 nanocompounds with enhanced photoelectrochemical properties2017In: Journal of Materials Chemistry A, ISSN 2050-7488, Vol. 5, no 3, p. 1112-1119Article in journal (Refereed)
    Abstract [en]

    We demonstrate scalable, low-cost and low-temperature (<100 °C) aqueous chemical growth of bismuth–zinc vanadate (BiZn2VO6) nanocompounds by BiVO4 growth on ZnO nanobelts (NBs). The nanocompounds were further doped with polyethylene glycol (PEG) to tune the electronic structure of the materials, as a means to lower the charge carrier recombination rate. The chemical composition, morphology, and detailed nanostructure of the BiZn2VO6 nanocompounds were characterized. They exhibit rice-like morphology, are highly dense on the substrate and possess a good crystalline quality. Photoelectrochemical characterization in 0.1 M lithium perchlorate in carbonate propylene shows that BiZn2VO6 nanocompounds are highly suitable as anodes for solar-driven photoelectrochemical applications, providing significantly better performance than with only ZnO NBs. This performance could be attributed to the heterogeneous catalysis effect at nanocompound and ZnO NB interfaces, which have enhanced the electron transfer process on the electrode surface. Furthermore, the charge collection efficiency could be significantly improved through PEG doping of nanocompounds. The photocurrent density of PEG-doped BiZn2VO6 nanocompounds reached values of 2 mA cm−2 at 1.23 V (vs. Ag/AgCl), over 60% larger than that of undoped BiZn2VO6 nanocompounds. Photoluminescence emission experiments confirmed that PEG plays a crucial role in lowering the charge carrier recombination rate. The presented BiZn2VO6 nanocompounds are shown to provide highly competitive performance compared with other state-of-the art photoelectrodes.

  • 65.
    Serban, Alexandra
    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.
    Junaid, Muhammad
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tengdelius, Lina
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Högberg, Hans
    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.
    Persson, Per Ola Åke
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hsiao, Ching-Lien
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Magnetron Sputter Epitaxy of High-Quality GaN Nanorods on Functional and Cost-Effective Templates/Substrates2017In: Energies, ISSN 1996-1073, E-ISSN 1996-1073, Vol. 10, no 9, article id 1322Article in journal (Refereed)
    Abstract [en]

    We demonstrate the versatility of magnetron sputter epitaxy by achieving high-quality GaN nanorods on different substrate/template combinations, specifically Si, SiC, TiN/Si, ZrB2/Si, ZrB2/SiC, Mo, and Ti. Growth temperature was optimized on Si, TiN/Si, and ZrB2/Si, resulting in increased nanorod aspect ratio with temperature. All nanorods exhibit high purity and quality, proved by the strong bandedge emission recorded with cathodoluminescence spectroscopy at room temperature as well as transmission electron microscopy. These substrates/templates are affordable compared to many conventional substrates, and the direct deposition onto them eliminates cumbersome post-processing steps in device fabrication. Thus, magnetron sputter epitaxy offers an attractive alternative for simple and affordable fabrication in optoelectronic device technology.

  • 66.
    Anastasopoulos, M.
    et al.
    European Spallat Source, Sweden.
    Bebb, R.
    European Spallat Source, Sweden.
    Berry, K.
    Spallat Neutron Source, TN 37831 USA.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Brys, T.
    European Spallat Source, Sweden.
    Buffet, J. -C.
    Institute Laue Langevin, France.
    Clergeau, J. -F.
    Institute Laue Langevin, France.
    Deen, P. P.
    European Spallat Source, Sweden.
    Ehlers, G.
    Spallat Neutron Source, TN 37831 USA.
    van Esch, P.
    Institute Laue Langevin, France.
    Everett, S. M.
    Spallat Neutron Source, TN 37831 USA.
    Guerard, B.
    Institute Laue Langevin, France.
    Hall-Wilton, R.
    European Spallat Source, Sweden; Mid Sweden University, Sweden.
    Herwig, K.
    Spallat Neutron Source, TN 37831 USA.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Höglund, Carina
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. European Spallat Source, Sweden.
    Iruretagoiena, I.
    European Spallat Source, Sweden.
    Issa, F.
    European Spallat Source, Sweden.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Khaplanov, A.
    European Spallat Source, Sweden.
    Kirstein, O.
    European Spallat Source, Sweden; University of Newcastle, Australia.
    Lopez Higuera, I.
    European Spallat Source, Sweden.
    Piscitelli, F.
    European Spallat Source, Sweden.
    Robinson, L.
    European Spallat Source, Sweden.
    Schmidt, Susann
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. European Spallat Source, Sweden.
    Stefanescu, I.
    European Spallat Source, Sweden.
    Multi-Grid detector for neutron spectroscopy: results obtained on time-of-flight spectrometer CNCS2017In: Journal of Instrumentation, ISSN 1748-0221, E-ISSN 1748-0221, Vol. 12, article id P04030Article in journal (Refereed)
    Abstract [en]

    The Multi-Grid detector technology has evolved from the proof-of-principle and characterisation stages. Here we report on the performance of the Multi-Grid detector, the MG. CNCS prototype, which has been installed and tested at the Cold Neutron Chopper Spectrometer, CNCS at SNS. This has allowed a side-by-side comparison to the performance of He-3 detectors on an operational instrument. The demonstrator has an active area of 0.2m(2). It is specifically tailored to the specifications of CNCS. The detector was installed in June 2016 and has operated since then, collecting neutron scattering data in parallel to the He-3 detectors of CNCS. In this paper, we present a comprehensive analysis of this data, in particular on instrument energy resolution, rate capability, background and relative efficiency. Stability, gamma-ray and fast neutron sensitivity have also been investigated. The effect of scattering in the detector components has been measured and provides input to comparison for Monte Carlo simulations. All data is presented in comparison to that measured by the He-3 detectors simultaneously, showing that all features recorded by one detector are also recorded by the other. The energy resolution matches closely. We find that the Multi-Grid is able to match the data collected by He-3, and see an indication of a considerable advantage in the count rate capability. Based on these results, we are confident that the Multi-Grid detector will be capable of producing high quality scientific data on chopper spectrometers utilising the unprecedented neutron flux of the ESS.

  • 67.
    Greczynski, Grzegorz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rhein Westfal TH Aachen, Germany.
    Mraz, S.
    Rhein Westfal TH Aachen, Germany.
    Schneider, J. M.
    Rhein Westfal TH Aachen, Germany.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Native target chemistry during reactive dc magnetron sputtering studied by ex-situ x-ray photoelectron spectroscopy2017In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 111, no 2, article id 021604Article in journal (Refereed)
    Abstract [en]

    We report x-ray photoelectron spectroscopy (XPS) analysis of native Ti target surface chemistry during magnetron sputtering in an Ar/N-2 atmosphere. To avoid air exposure, the target is capped immediately after sputtering with a few-nm-thick Al overlayers; hence, information about the chemical state of target elements as a function of N-2 partial pressure p(N2) is preserved. Contrary to previous reports, which assume stoichiometric TiN formation, we present direct evidence, based on core-level XPS spectra and TRIDYN simulations, that the target surface is covered by TiNx with x varying in a wide range, from 0.27 to 1.18, depending on p(N2). This has far-reaching consequences both for modelling of the reactive sputtering process and for everyday thin film growth where detailed knowledge of the target state is crucial. Published by AIP Publishing.

  • 68.
    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.

  • 69.
    Zheng, Qiye
    et al.
    University of Illinois, USA.
    Mei, Antonio B.
    University of Illinois, USA.
    Tuteja, Mohit
    University of Illinois, USA.
    Sangiovanni, Davide
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering. Ruhr University of Bochum, Germany.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, USA.
    Cahill, David G.
    University of Illinois, IL 61801 USA.
    Phonon and electron contributions to the thermal conductivity of VNx epitaxial layers2017In: PHYSICAL REVIEW MATERIALS, ISSN 2475-9953, Vol. 1, no 6, article id 065002Article in journal (Refereed)
    Abstract [en]

    Thermal conductivities of VNx/MgO(001) (0.76 amp;lt;= x amp;lt;= 1.00) epitaxial layers, grown by reactive magnetron sputter deposition, are measured in the temperature range 300 amp;lt; T amp;lt; 1000 K using time-domain thermore-flectance (TDTR). Data for the total thermal conductivity are compared to the electronic contribution to the thermal conductivity calculated from the measured electrical conductivity, the Wiedemann-Franz law, and an estimate of the temperature dependence of the Lorenz number L(T). The total thermal conductivity is dominated by electron contribution and varies between 13 W m(-1) K-1 at x = 0.76 and 20 W m(-1) K-1 at x = 1.00 for T = 300 K and between 25 and 35 W m(-1) K-1 for T = 1000 K. The lattice thermal conductivity vs x ranges from 5 to 7 W m(-1) K-1 at 300 K and decreases by 20% at 500 K. The low magnitude and weak temperature dependence of the lattice thermal conductivity are attributed to strong electron-phonon coupling in VN.

  • 70.
    Dahlqvist, Martin
    et al.
    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.
    Meshkian, Rahele
    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.
    Hultman, Lars
    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.
    Prediction and synthesis of a family of atomic laminate phases with Kagome-like and in-plane chemical ordering2017In: Science Advances, ISSN 0036-8156, E-ISSN 2375-2548, Vol. 3, no 7, article id e1700642Article in journal (Refereed)
    Abstract [en]

    The enigma of MAX phases and their hybrids prevails. We probe transition metal (M) alloying in MAX phases for metal size, electronegativity, and electron configuration, and discover ordering in these MAX hybrids, namely, (V2/3Zr1/3)(2)AlC and (Mo2/3Y1/3)(2)AlC. Predictive theory and verifying materials synthesis, including a judicious choice of alloying M from groups III to VI and periods 4 and 5, indicate a potentially large family of thermodynamically stable phases, with Kagome-like and in-plane chemical ordering, and with incorporation of elements previously not known for MAX phases, including the common Y. We propose the structure to be monoclinic C2/c. As an extension of the work, we suggest a matching set of novel MXenes, from selective etching of the A-element. The demonstrated structural design on simultaneous two-dimensional (2D) and 3D atomic levels expands the property tuning potential of functional materials.

  • 71.
    Bakoglidis, Konstantinos
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. SKF Engineering and Research Centre, Tribology and Lubrication Department, Nieuwegein, The Netherlands.
    Nedelcu, Ileana
    SKF Engineering and Research Centre, Tribology and Lubrication Department, Nieuwegein, The Netherlands.
    Ivanov, Ivan Gueorguiev
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
    Meeuwenoord, Ralph
    SKF Engineering and Research Centre, Tribology and Lubrication Department, Nieuwegein, The Netherlands.
    Schmidt, Susann
    IHI Ionbond AG, Olten, Switzerland.
    Janzén, Erik
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
    Ehret, Pascal
    SKF Engineering and Research Centre, Tribology and Lubrication Department, Nieuwegein, The Netherlands.
    Greczynski, Grzegorz
    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.
    Rolling performance of carbon nitride-coated bearing components in different lubrication regimes2017In: Tribology International, ISSN 0301-679X, E-ISSN 1879-2464, Vol. 114, p. 141-151Article in journal (Refereed)
    Abstract [en]

    The performance of carbon nitride (CN) coated roller bearings is investigated, using a micropitting rig. The rolling performance is evaluated using Stribeck test, with a continuously varying rolling speed (0.2 - 2 m/s). Rolling contact fatigue tests with constant speeds (0.5, 1, 2, and 3.5 m/s) are also conducted in order to study the high-cycle performance of the rollers. The obtained Stribeck curve shows that the presence of coatings eliminates run-in, resulting in low friction coefficients (similar to 0.08). Raman spectroscopy, performed at the wear tracks, reveals that CNx maintain stable chemical state. Coatings show abrasion although the wear rate is not detrimental for the performance of the rollers, since a CNx to-steel contact is retained during the entire rolling contact fatigue test.

  • 72.
    Greczynski, Grzegorz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rhein Westfal TH Aachen, Germany.
    Mraz, S.
    Rhein Westfal TH Aachen, Germany.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Schneider, J. M.
    Rhein Westfal TH Aachen, Germany.
    Selectable phase formation in VAlN thin films by controlling Al+ subplantation depth2017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 17544Article in journal (Refereed)
    Abstract [en]

    We report on a thin film synthesis technique which allows for unprecedented control over the crystalline phase formation in metastable transition metal nitride based layers. For the model material system of V0.26Al0.74N, a complete transition from hexagonal to supersaturated cubic structure is achieved by tuning the incident energy, hence subplantation depth, of Al+ metal ions during reactive hybrid high power impulse magnetron sputtering of Al target and direct current magnetron sputtering of V target in Ar/N-2 gas mixture. These findings enable the phase selective synthesis of novel metastable materials that combine excellent mechanical properties, thermal stability, and oxidation resistance.

  • 73.
    Serban, Alexandra
    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.
    Yeh, Chia-Cheng
    National Cheng Kung University, Taiwan.
    Hsu, Hsu-Cheng
    National Cheng Kung University, Taiwan.
    Tsai, Yu-Lin
    National Chiao Tung University, Taiwan.
    Kuo, Hao-Chung
    National Chiao Tung University, Taiwan.
    Junaid, Muhammad
    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.
    Persson, Per O A
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hsiao, Ching-Lien
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Selective-area growth of single-crystal wurtzite GaN nanorods on SiOx/Si(001) substrates by reactive magnetron sputter epitaxy exhibiting single-mode lasing2017In: Scientific Reports, ISSN 2045-2322, E-ISSN 2045-2322, Vol. 7, article id 12701Article in journal (Refereed)
    Abstract [en]

    Selective-area growth (SAG) of single-crystal wurtzite GaN nanorods (NRs) directly onto Si(001) substrates with un-etched native SiOx amorphous layer, assisted by a patterning TiNx mask fabricated by nanosphere lithography (NSL), has been realized by reactive magnetron sputter epitaxy (MSE). The GaN NRs were grown vertically to the substrate surface with the growth direction along c-axis in the well-defined nano-opening areas. A 5-step structural and morphological evolution of the SAG NRs observed at different sputtering times depicts a comprehensive growth model, listed in sequence as: formation of a polycrystalline wetting layer, predominating c-axis oriented nucleation, coarsening and coalescence of multi-islands, single NR evolution, and finally quasi-equilibrium crystal shape formation. Room-temperature cathodoluminescence spectroscopy shows a strong GaN bandedge emission with a uniform luminescence across the NRs, indicating that the SAG NRs are grown with high quality and purity. In addition, single-longitudinal-mode lasing, attributed to well-faceted NR geometry forming a Fabry-Perot cavity, was achieved by optical pumping, paving a way for fabricating high-performance laser optoelectronics using MSE.

  • 74.
    Schmidt, Susann
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hänninen, Tuomas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Wissting, Jonas
    Linköping University, Department of Physics, Chemistry and Biology, Applied Optics . 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.
    Goebbels, N.
    IHI Ionbond AG, Switzerland.
    Santana, A.
    IHI Ionbond AG, Switzerland.
    Tobler, M.
    IHI Ionbond AG, Switzerland.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    SiNx coatings deposited by reactive high power impulse magnetron sputtering: Process parameters influencing the residual coating stress2017In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 121, no 17, article id 171904Article in journal (Refereed)
    Abstract [en]

    The residual coating stress and its control is of key importance for the performance and reliability of silicon nitride (SiNx) coatings for biomedical applications. This study explores the most important deposition process parameters to tailor the residual coating stress and hence improve the adhesion of SiNx coatings deposited by reactive high power impulse magnetron sputtering (rHiPIMS). Reactive sputter deposition and plasma characterization were conducted in an industrial deposition chamber equipped with pure Si targets in N-2/Ar ambient. Reactive HiPIMS processes using N-2-to-Ar flow ratios of 0 and 0.28-0.3 were studied with time averaged positive ion mass spectrometry. The coatings were deposited to thicknesses of 2 mu m on Si(001) and to 5 mu m on polished CoCrMo disks. The residual stress of the X-ray amorphous coatings was determined from the curvature of the Si substrates as obtained by X-ray diffraction. The coatings were further characterized by X-ray photoelectron spectroscopy, scanning electron microscopy, and nano-indentation in order to study their elemental composition, morphology, and hardness, respectively. The adhesion of the 5 mu m thick coatings deposited on CoCrMo disks was assessed using the Rockwell C test. The deposition of SiNx coatings by rHiPIMS using N-2-to-Ar flow ratios of 0.28 yield dense and hard SiNx coatings with Si/N ratios amp;lt; 1. The compressive residual stress of up to 2.1 GPa can be reduced to 0.2 GPa using a comparatively high deposition pressure of 600 mPa, substrate temperatures below 200 degrees C, low pulse energies of amp;lt; 2.5 Ws, and moderate negative bias voltages of up to 100 V. These process parameters resulted in excellent coating adhesion (ISO 0, HF1) and a low surface roughness of 14 nm for coatings deposited on CoCrMo. (C) 2017 Author(s).

  • 75.
    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.

  • 76.
    Lai, Chung-Chuan
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Goyenola, Cecilia
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Broitman, Esteban
    Linköping University, Department of Physics, Chemistry and Biology. 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.
    Högberg, Hans
    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.
    Gueorguiev, Gueorgui Kostov
    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 properties of CSxFy thin films deposited by reactive magnetron sputtering in an Ar/SF6 discharge2017In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 29, no 19, article id 195701Article in journal (Refereed)
    Abstract [en]

    A theoretical and experimental study on the growth and properties of a ternary carbon-based material, CSxFy, synthesized from SF6 and C as primary precursors is reported. The synthetic growth concept was applied to model the possible species resulting from the fragmentation of SF6 molecules and the recombination of S-F fragments with atomic C. The possible species were further evaluated for their contribution to the film growth. Corresponding solid CSxFy thin films were deposited by reactive direct current magnetron sputtering from a C target in a mixed Ar/SF6 discharge with different SF6 partial pressures (P-SF6). Properties of the films were determined by x-ray photoelectron spectroscopy, x-ray reflectivity, and nanoindentation. A reduced mass density in the CSxFy films is predicted due to incorporation of precursor species with a more pronounced steric effect, which also agrees with the low density values observed for the films. Increased P-SF6 leads to decreasing deposition rate and increasing density, as explained by enhanced fluorination and etching on the deposited surface by a larger concentration of F/F-2 species during the growth, as supported by an increment of the F relative content in the films. Mechanical properties indicating superelasticity were obtained from the film with lowest F content, implying a fullerene-like structure in CSxFy compounds.

  • 77.
    Fashandi, Hossein
    et al.
    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.
    Palisaitis, Justinas
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Simak, Sergey
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Abrikosov, Igor
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical 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.
    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.
    Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble metal substitution reaction in Ti3SiC2 for high-temperature-stable Ohmic contacts to SiC2017In: Nature Materials, ISSN 1476-1122, E-ISSN 1476-4660, Vol. 16, no 8, p. 814-818Article in journal (Refereed)
    Abstract [en]

    The large class of layered ceramics encompasses both van der Waals (vdW) and non-vdW solids. While intercalation of noble metals in vdW solids is known, formation of compounds by incorporation of noble-metal layers in non-vdW layered solids is largely unexplored. Here, we show formation of Ti3AuC2 and Ti3Au2C2 phases with up to 31% lattice swelling by a substitutional solid-state reaction of Au into Ti3SiC2 single-crystal thin films with simultaneous out-diffusion of Si. Ti3IrC2 is subsequently produced by a substitution reaction of Ir for Au in Ti3Au2C2. These phases form Ohmic electrical contacts to SiC and remain stable after 1,000 h of ageing at 600 degrees C in air. The present results, by combined analytical electron microscopy and ab initio calculations, open avenues for processing of noble-metal-containing layered ceramics that have not been synthesized from elemental sources, along with tunable properties such as stable electrical contacts for high-temperature power electronics or gas sensors.

  • 78.
    Lu, Jun
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Thore, Andreas
    Linköping University, Department of Physics, Chemistry and Biology. 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.
    Tao, Quanzheng
    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.
    Rosén, Johanna
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Theoretical and Experimental Exploration of a Novel In-Plane Chemically Ordered (Cr2/3M1/3)(2)AIC i-MAX Phase with M = Sc and Y2017In: Crystal Growth & Design, ISSN 1528-7483, E-ISSN 1528-7505, Vol. 17, no 11, p. 5704-5711Article in journal (Refereed)
    Abstract [en]

    We have uncovered two inherently laminated transition metal carbides, (Cr2/3Sc1/3)(2)A1C and (Cr2/3Y1/3)(2)A1C, which display in-plane chemical order in the carbide sheet and a Kagome pattern in the Al layer. The phases belong to the most recently discovered family of so-called i-MAX phases. The materials were synthesized and the crystal structures were evaluated by means of analytical high resolution scanning transmission electron microscopy, selected area electron diffraction, and X-ray diffraction Rietveld refinement. An orthorhombic structure of space group Cmcm (#63) and a monoclinic structure of space group C2/c (#15) are solved. The compounds were investigated by first-principles calculations based on density functional theory, suggesting close to degenerate anti-ferro- and ferromagnetic spin states, dynamical and mechanical stability, and a Voigt bulk modulus in the range 134-152 GPa.

  • 79.
    Meshkian, Rahele
    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.
    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.
    Hultman, Lars
    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.
    Theoretical stability and materials synthesis of a chemically ordered MAX phase, Mo2ScAlC2, and its two-dimensional derivate Mo2ScC2 MXene2017In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 125, p. 476-480Article in journal (Refereed)
    Abstract [en]

    We present theoretical prediction and experimental evidence of a new MAX phase alloy, Mo2ScAlC2, with out-of-plane chemical order. Evaluation of phase stability was performed by ab initio calculations based on Density Functional Theory, suggesting that chemical order in the alloy promotes a stable phase, with a formation enthalpy of -24 meV/atom, as opposed to the predicted unstable Mo3AlC2 and Sc3AlC2. Bulk synthesis of Mo2ScAlC2 is achieved by mixing elemental powders of Mo, Sc, Al and graphite which are heated to 1700 degrees C. High resolution transmission electron microscopy reveals a chemically ordered structure consistent with theoretical predictions with one Sc layer sandwiched between two Mo-C layers. The two-dimensional derivative, the MXene, is produced by selective etching of the Al-layers in hydrofluoric acid, resulting in the corresponding chemically ordered Mo2ScC2, i.e. the first Sc-containing MXene. The here presented results expands the attainable range of MXene compositions and widens the prospects for property tuning. (C)2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • 80.
    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] .

  • 81.
    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.

  • 82.
    Tao, Quanzheng
    et al.
    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.
    Kota, Sankalp
    Drexel University, PA 19104 USA.
    Meshkian, Rahele
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Halim, Joseph
    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.
    Hultman, Lars
    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.
    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.
    Two-dimensional Mo1.33C MXene with divacancy ordering prepared from parent 3D laminate with in-plane chemical ordering2017In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 8, article id 14949Article in journal (Refereed)
    Abstract [en]

    The exploration of two-dimensional solids is an active area of materials discovery. Research in this area has given us structures spanning graphene to dichalcogenides, and more recently 2D transition metal carbides (MXenes). One of the challenges now is to master ordering within the atomic sheets. Herein, we present a top-down, high-yield, facile route for the controlled introduction of ordered divacancies in MXenes. By designing a parent 3D atomic laminate, (Mo2/3Sc1/3)(2)AlC, with in-plane chemical ordering, and by selectively etching the Al and Sc atoms, we show evidence for 2D Mo1.33C sheets with ordered metal divacancies and high electrical conductivities. At similar to 1,100 F cm(-3), this 2D material exhibits a 65% higher volumetric capacitance than its counterpart, Mo2C, with no vacancies, and one of the highest volumetric capacitance values ever reported, to the best of our knowledge. This structural design on the atomic scale may alter and expand the concept of property-tailoring of 2D materials.

  • 83.
    Greczynski, Grzegorz
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Rhein Westfal TH Aachen, Germany.
    Mraz, S.
    Rhein Westfal TH Aachen, Germany.
    Hans, M.
    Rhein Westfal TH Aachen, Germany.
    Primetzhofer, D.
    Uppsala University, Sweden.
    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.
    Schneider, J. M.
    Rhein Westfal TH Aachen, Germany.
    Unprecedented Al supersaturation in single-phase rock salt structure VAlN films by Al+ subplantation2017In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 121, no 17, article id 171907Article in journal (Refereed)
    Abstract [en]

    Modern applications of refractory ceramic thin films, predominantly as wear-protective coatings on cutting tools and on components utilized in automotive engines, require a combination of excellent mechanical properties, thermal stability, and oxidation resistance. Conventional design approaches for transition metal nitride coatings with improved thermal and chemical stability are based on alloying with Al. It is well known that the solubility of Al in NaCl-structure transition metal nitrides is limited. Hence, the great challenge is to increase the Al concentration substantially while avoiding precipitation of the thermodynamically favored wurtzite-AlN phase, which is detrimental to mechanical properties. Here, we use VAlN as a model system to illustrate a new concept for the synthesis of metastable single-phase NaCl-structure thin films with the Al content far beyond solubility limits obtained with conventional plasma processes. This supersaturation is achieved by separating the film-forming species in time and energy domains through synchronization of the 70-mu s-long pulsed substrate bias with intense periodic fluxes of energetic Al+ metal ions during reactive hybrid high power impulse magnetron sputtering of the Al target and direct current magnetron sputtering of the V target in the Ar/N-2 gas mixture. Hereby, Al is subplanted into the cubic VN grains formed by the continuous flux of low-energy V neutrals. We show that Al subplantation enables an unprecedented 42% increase in metastable Al solubility limit in V1-xAlxN, from x-0.52 obtained with the conventional method to 0.75. The elastic modulus is 325 +/- 5GPa, in excellent agreement with density functional theory calculations, and approximately 50% higher than for corresponding films grown by dc magnetron sputtering. The extension of the presented strategy to other Al-ion-assisted vapor deposition methods or materials systems is straightforward, which opens up the way for producing supersaturated single-phase functional ceramic alloy thin films combining excellent mechanical properties with high oxidation resistance. Published by AIP Publishing.

  • 84.
    Noroozi, Mohammad
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. KTH Royal Institute Technology, Sweden.
    Jayakumar, Ganesh
    KTH Royal Institute Technology, Sweden.
    Zahmatkesh, Katayoun
    KTH Royal Institute Technology, Sweden.
    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.
    Mensi, Mounir
    KTH Royal Institute Technology, Sweden.
    Marcinkevicius, Saulius
    KTH Royal Institute Technology, Sweden.
    Hamawandi, Bejan
    KTH Royal Institute Technology, Sweden.
    Tafti, Mohsen Y.
    KTH Royal Institute Technology, Sweden.
    Ergul, Adem B.
    KTH Royal Institute Technology, Sweden.
    Ikonic, Zoran
    University of Leeds, England.
    Toprak, Muhammet S.
    KTH Royal Institute Technology, Sweden.
    Radamson, Henry H.
    KTH Royal Institute Technology, Sweden.
    Unprecedented Thermoelectric Power Factor in SiGe Nanowires Field-Effect Transistors2017In: ECS Journal of Solid State Science and Technology, ISSN 2162-8769, E-ISSN 2162-8777, Vol. 6, no 9, p. Q114-Q119Article in journal (Refereed)
    Abstract [en]

    In this work, a novel CMOS compatible process for Si-based materials has been presented to form SiGe nanowires (NWs) on SiGe On Insulator (SGOI) wafers with unprecedented thermoelectric (TE) power factor (PF). The TE properties of SiGe NWs were characterized in a back-gate configuration and a physical model was applied to explain the experimental data. The carrier transport in NWs was modified by biasing voltage to the gate at different temperatures. The PF of SiGe NWs was enhanced by a factor of amp;gt; 2 in comparison with bulk SiGe over the temperature range of 273 K to 450 K. This enhancement is mainly attributed to the energy filtering of carriers in SiGe NWs, which were introduced by imperfections and defects created during condensation process to form SiGe layer or in NWs during the processing of NWs. (c) 2017 The Electrochemical Society. All rights reserved.

  • 85.
    Kindlund, Hanna
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology.
    Greczynski, Grzegorz
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Broitman, Esteban
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
    Martinez de Olgoz, Leyre
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, The Institute of Technology. University of Barcelona, Spain.
    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.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Birch, Jens
    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.
    V0.5Mo0.5Nx/MgO(001): Composition, nanostructure, and mechanical properties as a function of film growth temperature2017In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 126, p. 194-201Article in journal (Refereed)
    Abstract [en]

    V(0.5)Mo(0.5)Nx/MgO(001) alloys with the B1-NaCI structure are grown by ultra-high-vacuum reactive magnetron sputter deposition in 5 mTorr mixed Ar/N-2 atmospheres at temperatures T-s between 100 and 900 degrees C. Alloy films grown at T-s amp;lt;= 500 degrees C are polycrystalline with a strong 002 preferred orientation; layers grown at T-s amp;gt;= 700 degrees C are epitaxial single-crystals. The N/Metal composition ratio x ranges from 1.02 +/- 0.05 with T-s = 100-500 degrees C to 0.94 +/- 0.05 at 700 degrees C to 0.64 +/- 0.05 at T-s = 900 degrees C. N loss at higher growth temperatures leads to a corresponding decrease in the relaxed lattice parameter a(0) from 4.212 A with x = 1.02 to 4.175 angstrom at x = 0.94 to 4.120 angstrom with x = 0.64. V(0.5)Mo(0.5)Nx nanoindentation hardnesses H and elastic moduli E increase with increasing T-s, from 17 +/- 3 and 323 +/- 30 GPa at 100 degrees C to 26 +/- 1 and 370 +/- 10 GPa at 900 degrees C. Both polycrystalline and single-crystal V(0.5)Mo(0.5)Nx films exhibit higher toughnesses than that of the parent binary compound VN. V(0.5)Mo(0.5)Nx films deposited at higher Ts also exhibit enhanced wear resistance. Valence-band x-ray photoelectron spectroscopy analyses reveal an increased volume density of shear-sensitive d-t(2g) d-t(2g) metallic states for V(0.5)Mo(0.5)Nx compared to VN and the density of these orbitals increases with increasing deposition temperature, i.e., with increasing N-vacancy concentration.(C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • 86.
    Garbrecht, Magnus
    et al.
    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.
    Fawey, Mohammed H.
    Karlsruhe Institute Technology, Germany; Technical University of Darmstadt, Germany; Technical University of Darmstadt, Germany.
    Sands, Timothy D.
    Virginia Tech, USA.
    Saha, Bivas
    University of Calif Berkeley, USA.
    Void-mediated coherency-strain relaxation and impediment of cubic-to-hexagonal transformation in epitaxial metastable metal/semiconductor TiN/Al0.72Sc0.28N multilayers2017In: PHYSICAL REVIEW MATERIALS, ISSN 2475-9953, Vol. 1, no 3, article id 033402Article in journal (Refereed)
    Abstract [en]

    Bulk metastable phases can be stabilized during thin-film growth by employing substrates with similar crystal structure and lattice parameter, albeit over a thickness range limited by coherency-strain relaxation. Expanding that strategy, growth of superlattices comprising one stable and another metastable compound with similar crystal structure and lattice parameters are known to yield epitaxial stabilization over a few nanometers of thickness. In this work, the high-pressure rocksalt (B1) phase of Al0.72Sc0.28N was stabilized epitaxially in a multilayer with TiN with thicknesses of up to 26 nm. In order to investigate the microstructural changes leading to the phase transformation of the metastable B1 phase to its wurtzite allomorph, we demonstrate a design based on a multilayer architecture with systematically varying thicknesses of the metastable compound within a constant-thickness lattice of stable metallic TiN with the cubic rocksalt structure. The multilayer films show an increasing hardness and elastic modulus for decreasing period thickness, in correspondence with both coherency-strain and Koehler hardening. The phase transition is accompanied by an increase of lattice strain with increasing multilayer periods, and resulting ultimately in coherency-strain relaxation upon phase transformation. Further, we show that the phase transformation is mediated by voids decorating the {130} planes that separate regions of different growth rates and act as additional growth fronts for wurtzite growth during the phase transformation. The TiN/(Al, Sc) N interfaces themselves remain atomically sharp and smooth until the interface structure roughens along with the epitaxial rocksalt to wurtzite transition of (Al, Sc) N. These results show the strong influence of the voids on controlling the target thickness of epitaxially stabilized thin-film growth to the range relevant for applications, such as coatings, plasmonic materials, and electronic device technology, where the mechanical integrity of the material is critical.

  • 87.
    Schmidt, Susann
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Czigany, Zsolt
    Hungarian Academic Science, Hungary.
    Wissting, Jonas
    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.
    Janzén, Erik
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. 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.
    Ivanov, Ivan Gueorguiev
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. 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.
    A comparative study of direct current magnetron sputtering and high power impulse magnetron sputtering processes for CNX thin film growth with different inert gases2016In: Diamond and related materials, ISSN 0925-9635, E-ISSN 1879-0062, Vol. 64, p. 13-26Article in journal (Refereed)
    Abstract [en]

    Reactive direct current magnetron sputtering (DCMS) and high power impulse magnetron sputtering (HiPIMS) discharges of carbon in different inert gas mixtures (N-2/Ne, N-2/Ar, and N-2/Kr) were investigated for the growth of carbon-nitride (CNX) thin films. Ion mass spectrometry showed that energies of abundant plasma cations are governed by the inert gas and the N-2-to-inert gas flow ratios. The population of ion species depends on the sputter mode; HiPIMS yields approximately ten times higher flux ratios of ions originating from the target to process gas ions than DCMS. Exceptional are discharges in Ne with N-2-to-Ne flow ratios &lt;20%. Here, cation energies and the amount of target ions are highest without influence on the sputter mode. CNX thin films were deposited in 14% N-2/inert gas mixtures at substrate temperatures of 110 degrees C and 430 degrees C. The film properties show a correlation to the substrate temperature, the applied inert gas and sputter mode. The mechanical performance of the films is mainly governed by their morphology and composition, but not by their microstructure. Amorphous and fullerene-like CN0.14 films exhibiting a hardness of similar to 15 GPa and an elastic recovery of similar to 90% were deposited at 110 degrees C in reactive Kr atmosphere by DCMS and HiPIMS.

  • 88.
    Tholander, Christopher
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tasnádi, Ferenc
    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.
    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.
    Jensen, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Sandström, Per
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Alling, Björn
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Max-Planck-Institut für Eisenforschung GmbH, Düsseldorf, Germany.
    Zukauskaitè, Agne
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Fraunhofer Institute for Applied Solid State Physics IAF, Freiburg, Germany.
    Ab initio calculations and experimental study of piezoelectric YxIn1-xN thin films deposited using reactive magnetron sputter epitaxy2016In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 105, p. 199-206Article in journal (Refereed)
    Abstract [en]

    By combining theoretical prediction and experimental verification we investigate the piezoelectric properties of yttrium indium nitride (YxIn1-xN). Ab initio calculations show that the YxIn1-xN wurtzite phase is lowest in energy among relevant alloy structures for 0≤x≤0.5. Reactive magnetron sputter epitaxy was used to prepare thin films with Y content up to x=0.51. The composition dependence of the lattice parameters observed in the grown films is in agreement with that predicted by the theoretical calculations confirming the possibility to synthesize a wurtzite solid solution. An AlN buffer layer greatly improves the crystalline quality and surface morphology of subsequently grown YxIn1-xN films. The piezoelectric response in films with x=0.09 and x=0.14 is observed using piezoresponse force microscopy. Theoretical calculations of the piezoelectric properties predict YxIn1−xN to have comparable piezoelectric properties to ScxAl1-xN.

  • 89.
    Sangiovanni, Davide
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Mei, A. B.
    University of Illinois, IL 61801 USA.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Chirita, Valeriu
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Ab Initio Molecular Dynamics Simulations of Nitrogen/VN(001) Surface Reactions: Vacancy-Catalyzed N-2 Dissociative Chemisorption, N Adatom Migration, and N-2 Desorption2016In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 23, p. 12503-12516Article in journal (Refereed)
    Abstract [en]

    We use density-functional ab initio molecular dynamics to investigate the kinetics of N/VN(001) surface reactions at temperatures ranging from 1600 to 2300 K. N adatoms (N-ad) on VN(001) favor epitaxial atop-V positions and diffuse among them by transiting through 4-fold hollow (FFH) sites, at which they are surrounded by two V and two N surface atoms. After several atop-V -amp;gt; FFH -amp;gt; atop-V jumps, isolated N adatoms bond strongly with an underlying N surface (N-surf) atom. Frequent N-ad/N-surf pair exchange reactions lead to N-2 desorption, which results in the formation of an anion surface vacancy. N vacancies rapidly migrate via in-plane (110) jumps and act as efficient catalysts for the dissociative chemisorption of incident N-2 molecules. During exposure of VN(001) to incident atomic N gas atoms, N-ad/N-ad recombination and desorption is never observed, despite a continuously high N monomer surface coverage. Instead, N-2 desorption is always initiated by a N adatom removing a N surface atom or by energetic N gas atoms colliding with N-ad or N-surf atoms. Similarities and differences between: N/VN(001) vs. previous N/TiN(001) results, discussed on the basis of temperature-dependent ab initio electronic structures and chemical bonding, provide insights for controlling the reactivity of NaCl-structure transition-metal nitride (001) surfaces via electron-concentration tuning.

  • 90.
    Karlsson, L. H.
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hallen, A.
    KTH Royal Institute Technology, Sweden.
    Birch, Jens
    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.
    Persson, Per O A
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Atomically resolved microscopy of ion implantation induced dislocation loops in 4H-SiC2016In: Materials letters (General ed.), ISSN 0167-577X, E-ISSN 1873-4979, Vol. 181, p. 325-327Article in journal (Refereed)
    Abstract [en]

    During high temperature electrical activation of ion-implanted dopant species in SiC, extrinsic dislocation loops are formed on the basal planes of the SiC lattice. Investigations have suggested Si-based loops are caused in accordance with the well-known +1 model. Herein we apply aberration corrected STEM to resolve the atomic structure of these loops. It is shown that the dislocation loops formed during annealing of Al-implanted SiC consist of an extra inserted Si-C bilayer of the (0001) polar sense, which upon insertion into the lattice causes a local extrinsic stacking fault. The +1 model thus needs to be expanded for binary systems. (C) 2016 Elsevier B.V. All rights reserved.

  • 91.
    Beshkova, M.
    et al.
    Bulgarian Academic Science, Bulgaria.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Yakimova, Rositsa
    Linköping University, Department of Physics, Chemistry and Biology, Semiconductor Materials. Linköping University, Faculty of Science & Engineering.
    Device applications of epitaxial graphene on silicon carbide2016In: Vacuum, ISSN 0042-207X, E-ISSN 1879-2715, Vol. 128, p. 186-197Article, review/survey (Refereed)
    Abstract [en]

    Graphene has become an extremely hot topic due to its intriguing material properties allowing for ground-breaking fundamental research and applications. It is one of the fastest developing materials during the last several years. This progress is also driven by the diversity of fabrication methods for graphene of different specific properties, size, quantity and cost. Graphene grown on SiC is of particular interest due to the possibility to avoid transferring of free standing graphene to a desired substrate while having a large area SiC (semi-insulating or conducting) substrate ready for device processing. Here, we present a review of the major current explorations of graphene on SiC in electronic devices, such as field effect transistors (FET), radio frequency (RF) transistors, integrated circuits (IC), and sensors. The successful role of graphene in the metrology sector is also addressed. Typical examples of graphene on SiC implementations are illustrated and the drawbacks and promises are critically analyzed. (C) 2016 Elsevier Ltd. All rights reserved.

  • 92.
    Ektarawong, Annop
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Simak, Sergey
    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.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tasnádi, Ferenc
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Wang, Fei
    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, Thin Film Physics. Linköping University, Faculty of Science & Engineering. Max Planck Institute Eisenforsch GmbH, Germany.
    Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics2016In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 144, no 13, article id 134503Article in journal (Refereed)
    Abstract [en]

    The elastic properties of alloys between boron suboxide (B6O) and boron carbide (B13C2), denoted by (B6O)1−x(B13C2)x, as well as boron carbide with variable carbon content, ranging from B13C2 to B4C are calculated from first-principles. Furthermore, the mixing thermodynamics of (B6O)1−x(B13C2)x is studied. A superatom-special quasirandom structure approach is used for modeling different atomic configurations, in which effects of configurational disorder between the carbide and suboxide structural units, as well as between boron and carbon atoms within the units, are taken into account. Elastic properties calculations demonstrate that configurational  disorder in B13C2, where a part of the C atoms in the CBC chains substitute for B atoms in the B12 icosahedra, drastically increase the Young’s and shear modulus, as compared to an atomically ordered state, B12(CBC). These calculated elastic moduli of the disordered state are in excellent agreement with experiments. Configurational disorder between boron and carbon can also explain the experimentally observed almost constant elastic moduli of boron carbide as the carbon content is changed from B4C to B13C2. The elastic moduli of the (B6O)1−x(B13C2)x system are also practically unchanged with composition if boron-carbon disorder is taken into account. By investigating the mixing thermodynamics of the alloys, in which the Gibbs free energy is determined within the mean-field approximation for the configurational entropy, we outline the pseudo-binary phase diagram of (B6O)1−x(B13C2)x. The phase diagram reveals the existence of a miscibility gap at all temperatures up to the melting point. Also, the coexistence of B6O-rich as well as ordered or disordered B13C2-rich domains in the material prepared through equilibrium routes is predicted.

  • 93.
    Sangiovanni, Davide
    et al.
    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.
    Chirita, Valeriu
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, USA.
    Effects of phase stability, lattice ordering, and electron density on plastic deformation in cubic TiWN pseudobinary transition-metal nitride alloys2016In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 103, p. 823-835Article in journal (Refereed)
    Abstract [en]

    We carry out density functional theory calculations to compare the energetics of layer glide, as well as stress vs. strain curves, for cubic Ti0.5W0.5N pseudobinary alloys and reference B1-structure TiN. Irrespective of the degree of ordering on the metal sublattice, the hardness and stiffness of Ti0.5W0.5, as estimated by stress strain results and resistance to layer glide, are comparable to that of the parent binary TiN, while ductility is considerably enhanced. After an initial elastic response to an applied load, the pseudobinary alloy deforms plastically, thus releasing accumulated mechanical stress. In contrast, stress continues to increase linearly with strain in TiN. Layer glide in Ti0.5W0.5N is promoted by a high valence-electron concentration which enables the formation of strong metallic bonds within the slip direction upon deformation. [1111-oriented Ti0.5W0.5N layers characterized by high local metal-sublattice ordering exhibit low resistance to slip along &lt; 110 &gt; directions due to energetically favored formation of (111) hexagonal stacking faults. This is consistent with the positive formation energy of &lt; 111 &gt;-ordered Tio.5W0.5N with respect to mixing of cubic-BI TiN and hexagonal WC-structure WN. In the cubic pseudobinary alloy, slip occurs parallel, as well as orthogonal, to the resolved applied stress at the interface between layers with the lowest friction. We suggest that analogous structural metastability (mixing cubic and hexagonal TM nitride binary phases) and electronic (high valence electron concentration) effects are responsible for the enhanced toughness recently demonstrated experimentally for cubic single-crystal pseudobinary V0.5W0.5N and V0.5MocoN epitaxial layers. (c) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  • 94.
    Albani, Giorgia
    et al.
    University of Milano Bicocca, Italy; Ist Nazl Fis Nucl, Italy.
    Perelli Cippo, Enrico
    CNR, Italy.
    Croci, Gabriele
    University of Milano Bicocca, Italy; Ist Nazl Fis Nucl, Italy.
    Muraro, Andrea
    CNR, Italy.
    Schooneveld, Erik
    Rutherford Appleton Lab, England.
    Scherillo, Antonella
    Rutherford Appleton Lab, England.
    Hall-Wilton, Richard
    European Spallat Source ERIC, Sweden; Mittuniversitetet, Sweden.
    Kanaki, Kalliopi
    European Spallat Source ERIC, Sweden.
    Höglund, Carina
    Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering. European Spallat Source ERIC, Sweden.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Claps, Gerardo
    Ist Nazl Fis Nucl, Italy.
    Murtas, Fabrizio
    Ist Nazl Fis Nucl, Italy.
    Rebai, Marica
    University of Milano Bicocca, Italy; Ist Nazl Fis Nucl, Italy.
    Tardocchi, Marco
    CNR, Italy.
    Gorini, Giuseppe
    University of Milano Bicocca, Italy; CNR, Italy; Ist Nazl Fis Nucl, Italy.
    Evolution in boron-based GEM detectors for diffraction measurements: from planar to 3D converters2016In: Measurement science and technology, ISSN 0957-0233, E-ISSN 1361-6501, Vol. 27, no 11, article id 115902Article in journal (Refereed)
    Abstract [en]

    The so-called He-3-crisis has motivated the neutron detector community to undertake an intense Ramp;D programme in order to develop technologies alternative to standard He-3 tubes and suitable for neutron detection systems in future spallation sources such as the European spallation source (ESS). Boron-based GEM (gas electron multiplier) detectors are a promising He-3-free technology for thermal neutron detection in neutron scattering experiments. In this paper the evolution of boron-based GEM detectors from planar to 3D converters with an application in diffraction measurements is presented. The use of 3D converters coupled with GEMs allows for an optimization of the detector performances. Three different detectors were used for diffraction measurements on the INES instrument at the ISIS spallation source. The performances of the GEM-detectors are compared with those of conventional He-3 tubes installed on the INES instrument. The conceptual detector with the 3D converter used in this paper reached a count rate per unit area of about 25% relative to the currently installed He-3 tube. Its timing resolution is similar and the signal-to-background ratio (S/B) is 2 times lower.

  • 95.
    Mei, A. B.
    et al.
    University of Illinois, IL 61801 USA.
    Tuteja, M.
    University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Sangiovanni, Davide
    Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
    Haasch, R. T.
    University of Illinois, IL 61801 USA; University of Illinois, IL 61801 USA.
    Rockett, A.
    University of Illinois, IL 61801 USA.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Petrov, Ivan
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Greene, Joseph E
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering. University of Illinois, IL 61801 USA.
    Growth, nanostructure, and optical properties of epitaxial VNx/MgO(001) (0.80 <= x <= 1.00) layers deposited by reactive magnetron sputtering2016In: Journal of Materials Chemistry C, ISSN 2050-7526, E-ISSN 2050-7534, Vol. 4, no 34, p. 7924-7938Article in journal (Refereed)
    Abstract [en]

    VNx/MgO(001) films, similar to 300 nm thick, with x ranging from 1.00 (stoichiometric) to 0.80 are grown by magnetically-unbalanced reactive magnetron sputter deposition in mixed N-2/Ar atmospheres. The combination of lattice-resolution cross-sectional electron microscopy with X-ray diffraction omega = 2 theta, phi-scans, pole figures, and high resolution reciprocal space maps show that VNx layers are epitaxial single crystals which grow cube-on-cube with respect to their substrates: (001)VNx vertical bar vertical bar (001)(MgO) and [100]VNx vertical bar vertical bar [100](MgO). VNx (001) relaxed lattice parameters a(0)(x) decrease linearly from 0.4134 (x = 1.00) to 0.4098 nm (x = 0.80), in agreement with density functional theory (DFT) calculations. Near-stoichiometric VNx layers (0.95 less than or similar to x less than or similar to 1.0) are fully relaxed during growth, while films with lower x values are partially strained as a result of increased anion vacancies impeding dislocation glide. VNx complex dielectric functions epsilon((h) over bar omega) are determined between 0.7 and 4.5 eV using variable-angle spectroscopic ellipsometry and valence states are probed via ultraviolet photoelectron spectroscopy (UPS) in concert with DFT calculations. VN(001) UPS spectra exhibit a feature at binding energies ranging from the Fermi level to 3 eV, together with two peaks deeper in the valence band. These results are consistent with electronic densities of states computed by scaling Kohn-Sham electronic eigenvalues to account for many-body interactions. Imaginary VN(001) dielectric functions epsilon((h) over bar omega) determined by ellipsometry also agree with theoretical values obtained within the random-phase approximation using scaled eigenvalues. Analyses of optical matrix element calculations reveal that VNx dielectric responses are controlled by the phase space for interband transitions; band-structure analyses indicate that epsilon(2)(amp;lt;(hover baramp;gt;omega) spectral features in the infrared-visible range arise primarily from the combination of intraband and d-d transitions, while features at higher energies result primarily from p-d interband transitions. The combined nanostructural and spectroscopic analyses establish that, surprisingly, N vacancies are essentially non-nteracting in high-quality epitaxial VNx containing vacancy concentrations up to similar to 10(22) cm(-3) (x = 0.80).

  • 96.
    Tengdelius, Lina
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Broitman, Esteban
    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.
    Eriksson, Fredrik
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Birch, Jens
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Nyberg, Tomas
    Department of Solid State Electronics, Uppsala University, Uppsala, Sweden.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hard and elastic epitaxial ZrB2 thin films on Al2O3(0001) substrates deposited by magnetron sputtering from a ZrB2 compound target2016In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 111, p. 166-172Article in journal (Refereed)
    Abstract [en]

    Zirconium diboride (ZrB2) exhibits high hardness and high melting point, which is beneficial for applications in for e.g. metal cutting. However, there is limited data on the mechanical properties of ZrB2 films and no data on epitaxial films. In this study, ZrB2(0001) thin films, with thicknesses up to 1.2 μm, have been deposited on Al2O3(0001) substrates by direct current magnetron sputtering from a compound target. X-ray diffraction and transmission electron microscopy show that the films grow epitaxially with two domain types exhibiting different in-plane epitaxial relationships to the substrate. The out-of-plane epitaxial relationship was determined to ZrB2(0001)|Al2O3(0001) and the in-plane relationships of the two domains to ZrB2[100]‖Al2O3[100] and ZrB2[110]‖Al2O3[100]. Mechanical properties of the films, evaluated by nanoindentation, showed that all films exhibit hardness values above 45 GPa, a reduced Young's modulus in the range 350–400 GPa, and a high elastic recovery of 70% at an applied load of 9000 μN.

  • 97.
    Broitman, Esteban
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Tengdelius, Lina
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Hangen, Ude D.
    Hysitron Inc., Minneapolis, Minnesota, USA.
    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.
    Högberg, Hans
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    High-temperature nanoindentation of epitaxial ZrB2 thin films2016In: Scripta Materialia, ISSN 1359-6462, E-ISSN 1872-8456, Vol. 124, p. 117-120Article in journal (Refereed)
    Abstract [en]

    We use in-situ heated nanoindentation to investigate the high-temperature nanomechanical properties of epitaxial and textured ZrB2 films deposited by magnetron sputtering. Epitaxial films deposited on 4H-SiC(0001) show a hardness decrease from 47 GPa at room temperature to 33 GPa at 600 °C, while the reduced elastic modulus does not change significantly. High resolution electron microscopy (HRTEM) with selected area electron diffraction of the indented area in a 0001-textured film reveals a retained continuous ZrB2 film and no sign of crystalline phase transformation, despite massive deformation of the Si substrate. HRTEM analysis supports the high elastic recovery of 96% in the films.

  • 98.
    Bentzel, Grady W.
    et al.
    Drexel University, PA 19104 USA.
    Naguib, Michael
    Drexel University, PA 19104 USA.
    Lane, Nina J.
    Drexel University, PA 19104 USA.
    Vogel, Sven C.
    Los Alamos National Lab, NM 87545 USA.
    Presser, Volker
    Drexel University, PA 19104 USA.
    Dubois, Sylvain
    University of Poitiers, France.
    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.
    Barsoum, Michel W.
    Drexel University, PA 19104 USA.
    Caspi, Elad N.
    Drexel University, PA 19104 USA; Nucl Research Centre Negev, Israel.
    High-Temperature Neutron Diffraction, Raman Spectroscopy, and First-Principles Calculations of Ti3SnC2 and Ti2SnC2016In: Journal of The American Ceramic Society, ISSN 0002-7820, E-ISSN 1551-2916, Vol. 99, no 7, p. 2233-2242Article in journal (Refereed)
    Abstract [en]

    Herein, we report-for the first time-on the additive-free bulk synthesis of Ti3SnC2. A detailed experimental study of the structure of the latter together with a secondary phase, Ti2SnC, is presented through the use of X-ray diffraction (XRD), and high-resolution transmission microscopy (HRTEM). A previous sample of Ti3SnC2, made using Fe as an additive and Ti2SnC as a secondary phase, was studied by high-temperature neutron diffraction (HTND) and XRD. The room-temperature crystallographic parameters of the two MAX phases in the two samples are quite similar. Based on Rietveld analysis of the HTND data, the average linear thermal expansion coefficients of Ti3SnC2 in the a and c directions were found to be 8.5 (2).10(-6) K-1 and 8.9 (1) . 10(-6) K-1, respectively. The respective values for the Ti2SnC phase are 10.1 (3) . 10(-6) K-1 and 10.8 (6) . 10(-6) K-1. Unlike other MAX phases, the atomic displacement parameters of the Sn atoms in Ti3SnC2 are comparable to those of the Ti and C atoms. When the predictions of the atomic displacement parameters obtained from density functional theory are compared to the experimental results, good quantitative agreement is found for the Sn atoms. In the case of the Ti and C atoms, the agreement is more qualitative. We also used first principles to calculate the elastic properties of both Ti2SnC and Ti3SnC2 and their Raman active modes. The latter are compared to experiment and the agreement was found to be good.

  • 99.
    Bakoglidis, Konstantinos
    et al.
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Schmidt, Susann
    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.
    Hultman, Lars
    Linköping University, Department of Physics, Chemistry and Biology, Thin Film Physics. Linköping University, Faculty of Science & Engineering.
    Improved adhesion of carbon nitride coatings on steel substrates using metal HiPIMS pretreatments2016In: Surface & Coatings Technology, ISSN 0257-8972, E-ISSN 1879-3347, Vol. 302, p. 454-462Article in journal (Refereed)
    Abstract [en]

    We investigate the effect of low-temperature metal pretreatments in order to improve the adhesion of CNx coatings on steel substrates, which is crucial for tribological applications. The substrate pretreatments were conducted using five different metal targets: Ti, Zr, Al, Cr, and W, operated in high power impulse magnetron sputtering mode, known to produce significant ionization of the sputtered material flux. The CNx adhesion, as assessed by Rockwell C tests, did not improve upon Ti and Zr pretreatments. This is primarily ascribed to the fact that no interlayer was formed owing to severe re-sputtering due to high fluxes of doubly-ionized metal species in the plasma. A slight improvement in adhesion was observed in the case an Al pretreatment was carried out, while the best results were obtained using Cr and W. Here, 30-s-long pretreatments were sufficient to clean the steel surface and form a metallic interlayer between substrate and coating. Transmission electron microscopy in combination with energy dispersive X-ray spectroscopy revealed that Al, Cr, and W created intermixing zones at the interlayer/substrate and the interlayer/CNx interfaces. The steel surfaces, pretreated using Cr or W, showed the highest work of adhesion with W-adh(Cr) = 1.77 J/m(2) and W-adh(W) = 1.66 J/m(2), respectively. (C) 2016 Elsevier B.V. All rights reserved.

  • 100.
    Greczynski, Grzegorz
    et al.
    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.
    In-situ observation of self-cleansing phenomena during ultra-high vacuum anneal of transition metal nitride thin films: Prospects for non-destructive photoelectron spectroscopy2016In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 109, no 21, article id 211602Article in journal (Refereed)
    Abstract [en]

    Self-cleansing of transition metal nitrides is discovered to take place during ultra-high vacuum annealing of TiN, NbN, and VN thin films. Native oxide layers from air exposure disappear after isothermal anneal at 1000 degrees C. Also, for TiN, the Ti 2p and N 1s X-ray photoelectron spectra (XPS) recorded after the anneal are identical to those obtained from in-situ grown and analyzed epitaxial TiN(001). These unexpected effects are explained by oxide decomposition in combination with N-replenishing of the nitride during recrystallization. The finding opens up new possibilities for true bonding assignments through non-destructive XPS analyses, thus avoiding artefacts from Ar etching. (C) 2016 Author(s).

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