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  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 5882-5886 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: B1–NaCl-structure CrN(001) layers were grown on MgO(001) at 600 °C by ultrahigh vacuum reactive magnetron sputter deposition in pure N2 discharges. X-ray diffraction analyses establish the epitaxial relationship as cube-on-cube, (001)CrN(parallel)(001)MgO with [100]CrN(parallel)[100]MgO, while temperature-dependent measurements show that the previously reported phase transition to the orthorhombic Pnma structure is, due to epitaxial constraints, absent in our layers. The resistivity increases with decreasing temperature, from 0.028 Ω cm at 400 K to 271 Ω cm at 20 K, indicating semiconducting behavior with hopping conduction. Optical absorption is low (α〈2×104 cm−1) for photon energies below 0.7 eV and increases steeply at higher energies. In situ ultraviolet photoelectron spectra indicate that the density of states vanishes at the Fermi level. The overall results provide evidence for CrN exhibiting a Mott–Hubbard type band gap. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 90 (2001), S. 2879-2885 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: While metastable B1-NaCl-structure δ-TaNx is presently used in a variety of hard coating, wear-resistant, and diffusion barrier applications, it is a complex material exhibiting a wide single-phase field, x(similar, equals)0.94–1.37, and little is known about its fundamental properties. Here, we report physical properties of epitaxial δ-TaNx layers grown as a function of x on MgO(001) by ultrahigh vacuum reactive magnetron sputter deposition. The room-temperature resistivity (ρ=225 μΩ cm), hardness (H=30.9 GPa), and elastic modulus (E=455 GPa) of δ-TaNx(001) are independent of x over the range 0.94–1.22. However, changes in the electronic structure associated with increasing x〉1.22 lead to an increase in ρ with a decrease in H and E. All δ-TaNx(001) layers exhibit negative temperature coefficients of resistivity between 20 and 400 K due to weak carrier localization. δ-TaNx is superconducting with the highest critical temperature, 8.45 K, obtained for layers with the lowest N/Ta ratio, x=0.94. Based upon the above results, combined with the fact that the relaxed lattice constant a0 shows only a very weak dependence on x, we propose that the wide phase field in δ-TaNx is due primarily to antisite substitutions of Ta on N (and N on Ta) sites, rather than to cation and anion vacancies. To first order, antisite substitutions in TaNx are isoelectronic and hence have little effect on charge carrier density. At sufficiently high N/Ta ratios, however, simple electron-counting arguments are no longer valid since large deviations from stoichiometry alter the character of the band structure itself. © 2001 American Institute of Physics.
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 89 (2001), S. 401-409 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Single crystalline Sc1−xTixN layers, with compositions spanning the entire range (0≤x≤1), were grown on MgO(001) by ultrahigh vacuum reactive magnetron sputter deposition at 750 °C. Optical transmission and reflectivity spectra are well described by a Drude–Lorentz model. The optical carrier density N* increases linearly from 1.0×1021 for ScN to 4.6×1022 cm−3 for TiN while the room-temperature electrical resistivity ρ300K varies by more than 2 orders of magnitude, from 2×10−3 Ω cm for ScN to 13 μΩ cm for TiN. ρ300K agrees well with optically determined resistivity values for alloys with compositions up to x=0.66, corresponding to the onset of electron filling in the second and third conduction bands. We calculated ScN and TiN band structures by ab initio density functional methods and used the results to simulate the field responses of free carriers in the Sc1−xTixN layers. From this, we determined, in combination with the measured temperature dependence of the resistivity, the low-temperature carrier relaxation time τ(x). The composition dependence of τ is dominated by alloy scattering and agrees well with our measured optical results. Hall experiments were used to obtain the effective carrier density Neff(x) which increases linearly with x up to x=0.4. Neff(x) is relatively flat for alloy compositions between x=0.4 and 0.7, due to anisotropies in the conduction band, and exhibits a steep increase at x〉0.7 as higher lying conduction bands begin to be occupied. Our simulated Sc1−xTixN electronic transport properties are in good agreement with experiment. Interband optical absorption results can also be understood based upon the calculated band structures. © 2001 American Institute of Physics.
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  • 4
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We use a combination of in situ and postdeposition experimental probes together with ab initio calculations of strain coefficients and formation energies associated with specific C configurations in the Si lattice to determine C incorporation pathways and lattice site distributions in fully coherent Si1−yCy alloy layers grown by molecular-beam epitaxy on Si(001) as a function of deposition temperature Ts (380 °C–680 °C) and C fraction y (0–0.026). Lattice strain and Raman spectroscopy measurements demonstrate that all C, irrespective of y, is incorporated into substitutional lattice sites in Si1−yCy(001) layers grown at Ts≤480 °C. Increasing Ts≥580 °C leads to strong C surface segregation, as shown by in situ angle-resolved x-ray photoelectron spectroscopy, yielding additional pathways for C incorporation. Photoluminescence measurements indicate that an increasing fraction of the incorporated C in the higher-temperature layers resides in dicarbon complexes. Reflection high-energy electron diffraction and cross sectional transmission electron microscopy reveal surface roughening at Ts≥580 °C with the formation of bulk planar structures, interconnected by {113} segments, that are periodic along [001] with a periodicity which decreases with increasing Ts. We interpret the planar structures as layers of C-rich Si1−yCy which form in the presence of excess surface C resulting from segregation. Our ab initio density functional calculations show that substitutional C arranged in an ordered Si4C phase is 0.34 eV per C atom more stable than isolated substitutional C atoms. © 2002 American Institute of Physics.
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  • 5
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3589-3597 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: CrN layers, 0.5 μm thick, were grown on MgO(001) at Ts=570–775 °C by ultrahigh vacuum magnetically unbalanced magnetron sputter deposition in pure N2 discharges at 20 mTorr. Layers grown at Ts≤700 °C are stoichiometric single crystals exhibiting cube-on-cube epitaxy: (001)CrN||(001)MgO with [100]CrN||[100]MgO. At higher temperatures, N2 desorption during deposition results in understoichiometric polycrystalline films with N fractions decreasing to 0.35, 0.28, and 0.07 with Ts=730, 760, and 775 °C, respectively. The surface morphologies of epitaxial CrN(001) layers were found to depend strongly on the incident ion-to-metal flux ratio JN2+/JCr which was varied between 1.7 and 14 with the ion energy maintained constant at 12 eV. The surfaces of layers grown with JN2+/JCr=1.7 consist of self-organized square-shaped mounds, due to kinetic roughening, with edges aligned along orthogonal 〈100〉 directions. The mounds have an average peak-to-valley height 〈h〉=5.1 nm and an in-plane correlation length of 〈d〉=0.21 μm. The combination of atomic shadowing by the mounds with low adatom mobility results in the formation of nanopipes extending along the growth direction. Increasing JN2+/JCr to 14 leads, due to increased adatom mobilities, to much smoother surfaces with 〈h〉=2.5 nm and 〈d〉=0.52 μm. Correspondingly, the nanopipe density decreases from 870 to 270 μm−2 to 〈20 μm−2 as JN2+/JCr is increased from 1.7 to 6 to 10. The hardness of dense CrN(001) is 28.5±1 GPa, but decreases to 22.5±1 GPa for layers containing significant nanopipe densities. The CrN(001) elastic modulus, 405±15 GPa, room-temperature resistivity, 7.7×10−2 Ω cm, and relaxed lattice constant, 0.4162±0.0008 nm, are independent of JN2+/JCr. © 2002 American Institute of Physics.
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  • 6
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 86 (1999), S. 5524-5529 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: ScN layers, 60–80 nm thick, were grown at 800 °C on 220-nm-thick epitaxial TiN(001) buffer layers on MgO(001) by ultrahigh vacuum reactive magnetron sputter deposition in pure N2 discharges. The films are stoichiometric with N/Sc ratios, determined by Rutherford backscattering spectroscopy and x-ray photoelectron spectroscopy, of 1.00±0.02. Plan-view and cross-sectional transmission electron microscopy analyses showed that the films are single crystals which appear defect free up to a critical thickness of (similar, equals)15 nm, above which an array of nanopipes form with their tubular axis along the film growth direction and extending to the free surface. The nanopipes are rectangular in cross section with areas of (similar, equals)1.5×5 nm2 and are self-organized along 〈100〉, directions with an average separation of (similar, equals)40 nm. Their formation is the result of periodic kinetic surface roughening which leads to atomic self-shadowing and, under limited adatom mobility conditions, to deep cusps which are the origin of the nanopipes. The ScN layers are nearly relaxed, as determined from x-ray diffraction θ-2θ scans in both reflection and transmission, with only a small residual compressive strain due to differential thermal contraction. The Poisson ratio of ScN was found to be 0.20±0.04, in good agreement with ab initio calculations. © 1999 American Institute of Physics.
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  • 7
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 90 (2001), S. 3910-3918 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Epitaxial metastable Ge1−yCy alloy layers with y≤0.035 were grown on Ge(001) from hyperthermal Ge and C atomic beams at deposition temperatures Ts of 250 and 300 °C. The use of hyperthermal beams allows us to controllably vary the concentration of C incorporated as Ge–C split interstitials. Ge1−yCy layers grown with incident Ge-atom energy distributions corresponding to ≤0.14 lattice displacement per incident atom (dpa) are in a state of in-plane tension and contain significant concentrations of C atoms incorporated in substitutional sites. Increasing the dpa to 0.24 yields layers in compression with C incorporated primarily as Ge–C split interstitials. Ab initio density functional calculations of the formation energies and strain coefficients associated with C atomic arrangements in Ge show that configurations containing multiple C atoms, referred to collectively as C nanoclusters, are energetically more favorable than substitutional C and Ge–C split interstitials and yield a nearly zero average strain. In contrast, substitutional C and Ge–C split interstitials produce large tensile and compressive strains, respectively. Using the calculated strain coefficients, measured layer strains obtained from high-resolution reciprocal lattice maps, and substitutional C concentrations determined by Raman spectroscopy, we obtain the fraction of C atoms incorporated in substitutional, Ge–C split interstitial, and nanocluster sites as a function of the total C concentration y and Ts. We find that at low y and Ts values, all C atoms are incorporated in single-C configurations: substitutional C and Ge–C split interstitials. Their relative concentrations are controlled by the dpa through the production of near-surface Ge self-interstitials which are trapped by substitutional C atoms to form Ge–C split interstitials. Increasing y and Ts, irrespective of the dpa, leads to an increase in the fraction of C nanoclusters, while the fractions of substitutional C and Ge–C split interstitials decrease, due to the higher C–C encounter probability at the growth surface. © 2001 American Institute of Physics.
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  • 8
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 84 (1998), S. 6034-6041 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: ScN layers, 345 nm thick, were grown on MgO(001) substrates at 750 °C by ultrahigh-vacuum reactive magnetron sputter deposition in pure N2 discharges at 5 mTorr. The N2+ to Sc ratio incident at the substrate and growing film was maintained constant at 14, while the ion energy EN2+ was varied from 13 to 50 eV. All films were stoichiometric with N/Sc ratios of 1.00±0.02. However, microstructural and surface morphological evolution were found to depend strongly on EN2+. The nucleation and initial growth stages of ScN films deposited with EN2+=13 eV are dominated by the formation of 111- and 002-oriented islands, but preferred orientation rapidly evolves toward a purely 111 texture by a film thickness of (similar, equals)50 nm as 002 grains grow out of existence in a kinetically limited competitive growth mode. In distinct contrast, films deposited with EN2+=20 eV grow in a cube-on-cube epitaxial relationship with the substrate and exhibit no indication of 111-oriented grains, even in the earliest stages. Increasing EN2+ to 50 eV still results in epitaxial layers, but with high in-plane compressive stress and the presence of N2 gas bubbles. All epitaxial layers contain rectangular nanopipes (similar, equals)1 nm wide and aligned along the growth direction. The nanopipes result from atomic shadowing near the bottom of a periodic array of surface cusps which form along orthogonal 〈100〉 directions due to kinetic roughening during growth. The hardness H and elastic modulus E of the epitaxial ScN(001) layer grown with EN2+=20 eV are 21.1±1.1 and 356±18 GPa, respectively. H and E increase (decrease) with increasing (decreasing) EN2+. © 1998 American Institute of Physics.
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  • 9
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 91 (2002), S. 3644-3652 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Epitaxial metastable Ge1−yCy alloy layers with y≤0.045 were grown on Ge(001) by solid-source molecular-beam epitaxy (MBE) at temperatures Ts=200–400 °C. Using calculated strain coefficients and measured layer strains obtained from high-resolution reciprocal lattice maps (HR-RLMs), we determine C lattice site distributions as a function of Ts and total C concentration y. HR-RLMs show that all as-deposited alloys are fully coherent with their substrates. Ge1−yCy(001) layers grown at Ts≤350 °C are in a state of in-plane tension and contain C in substitutional sites, giving rise to tensile strain, as well as in nanocluster sites which induce negligible lattice strain. Ts=400 °C layers are strain neutral with negligible substitutional C incorporation. Increasing y and/or Ts leads to a decrease in substitutional C concentration, consistent with Raman spectroscopy results, with a corresponding increase in the C fraction incorporated in nanocluster sites. The latter suggests that nanocluster formation is kinetically limited during film deposition by the C–C adatom encounter probability at the growth surface. Overall, the results show that it is not possible by MBE to obtain fully substitutional C incorporation in Ge1−yCy(001) alloys, irrespective of y and Ts. This is consistent with ab initio density functional calculations results showing that C incorporation in nanoclusters sites is energetically favored over incorporation in substitutional Ge lattice sites. Annealing the Ge1−yCy(001) layers at Ta=550 °C leads to a significant decrease in the substitutional C fraction and, hence, lower tensile strain. Layers annealed at 650 °C are strain free as all substitutional C has migrated to lower-energy nanocluster sites. © 2002 American Institute of Physics.
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  • 10
    Electronic Resource
    Electronic Resource
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 75 (1999), S. 3808-3810 
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We report the growth of epitaxial metastable B1 NaCl structure TaN(001) layers. The films were grown on MgO(001) at 600 °C by ultrahigh vacuum reactive magnetron sputter deposition in mixed Ar/N2 discharges maintained at 20 mTorr (2.67 Pa). X-ray diffraction and transmission electron microscopy results establish the epitaxial relationship as cube-on-cube, (001)TaN(parallel)(001)MgO with [100]TaN(parallel)[100]MgO, while Rutherford backscattering spectroscopy shows that the layers are overstoichiometric with N/Ta=1.22±0.02. The room-temperature resistivity is 225 μΩ cm with a small negative temperature dependence between 20 and 400 K. The hardness and elastic modulus, as determined by nanoindentation measurements, are 30.8±0.9 and 457±16 GPa, respectively. © 1999 American Institute of Physics.
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