Materials Literature
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Building on the insights gained from electronic-structure calculations and from experience obtained with an earlier atomic-level method, we developed an atomic-level simulation approach based on the traditional Buckingham potential with shell model which correctly reproduces the ferroelectric phase behavior and dielec…
Zinc blende MgS has been grown on GaAs by molecular beam epitaxy using a novel method where the sources were Mg and ZnS. A reaction at the surface results in the formation of MgS layers with a Zn content estimated by secondary ion mass spectrometry and Auger spectroscopy to be between 0.5% and 2%. Double crystal x-ray…
Our investigations reveal that the bonding of the transition-metal atoms on a single-wall carbon nanotube (SWCN) depends on the detailed contact conditions. On the basis of our results, we suggest that the early 3-d elements (Sc, Ti, and V) can be expected to be good candidates for making metal–SWCN contacts of low re…
The off-equilibrium dynamics of a monatomic Lennard-Jones glass is numerically investigated after sudden isothermal density jumps (crunch) from well equilibrated liquid configurations towards the glassy state. The generalized fluctuation-dissipation relation has been studied and the temperature dependence of the viola…
A series of 27 oxides of the type Ca3– x Sr x Al2O6, 3 £ x £ 0, were prepared as polycrystalline powders. The compounds are isostructural with Ca3Al2O6, space group Pa 3–, and their structures were refined from powder neutron and/or X-ray diffraction data by using the Rietveld method. The evolution of Ca/Sr site occup…
Erbium-related 1.54 μm emission dynamics of Er-doped ZnO thin films has been investigated for the different excitation conditions. The excitation was achieved either by exciting indirectly Er3+ ions due to an electron–hole-mediated process or exciting directly discrete energy levels of Er3+ ions. There is no change in…
Silver nanowires of diameter ∼2 nm and length ∼2 mm have been grown by an electrodeposition method within a polyvinyl alcohol film subjected to a two-stage treatment, viz., in ammonium persulphate and pyrrole solutions, respectively. A staircase current–voltage characteristic has been measured in this composite. Also,…
The chemical diffusion of lithium ions in a-LixWO3 films is investigated using alternating current impedance spectroscopy and Raman scattering measurements. The diffusion coefficients increase with increasing x in a-LixWO3 up to x=0.072 and then decrease. Raman measurements show that the W6+=O/O–W6+–O ratio also incre…
The thermal conductivity of sputtered amorphous-Ge2Sb2Te5 (a-GST)/ZnS:SiO2 and crystalline-Ge2Sb2Te5 (c-GST)/ZnS:SiO2 multilayer films has been measured in the temperature range between 50 and 300 K using the 3ω method. The conductivity data in the direction of the cross plane of the films showed lower values than the…
P-type transparent copper–aluminum–oxide semiconductor films are prepared by the use of the chemical-vapor deposition (CVD) technique with Cu(acac)2 and Al(acac)3 precursors. Transmission electron microscopy and electron diffraction suggest that the films contain nanocrystalline phases of CuAlO2 and Cu2O, in which CuA…
High-resolution specific-heat measurements of the organic superconductor $\ensuremath{\kappa}\ensuremath{-}(\mathrm{BEDT}\ensuremath{-}\mathrm{TTF}{)}_{2}\ensuremath{-}\mathrm{Cu}[\mathrm{N}(\mathrm{CN}{)}_{2}]\mathrm{Br}$ in the superconducting ( $B\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0$) and normal ( $…
We report measurements of the resistivity in the ferromagnetic state of epitaxial thin films of ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}{\mathrm{MnO}}_{3}$ and the low-temperature specific heat of a polycrystalline ${\mathrm{La}}_{0.8}{\mathrm{Ca}}_{0.2}{\mathrm{MnO}}_{3}$. The resistivity below 100 K can be…
Model interaction potentials for real materials are generally optimized with respect to only those experimental properties that are easily evaluated as mechanical averages (e.g., elastic constants (at T=0 K), static lattice energies and liquid structure). For such potentials, agreement with experiment for the non-mech…
The rheological behavior of metallic alloys containing both solid and liquid phases is investigated in the low solid fraction range (<50%). This behavior depends on both the solid fraction and the shear rate. The concept of Effective Volume Fraction (EVF) is used to decorrelate the influence of these two parameters. A…
The depth dependence of the crystallographic parameters mosaicity, lattice parameter variation and integrated reflectivity and of the critical scattering above the 105 K structural phase transition of SrTiO$_3$ have been studied in five different single crystals by means of high resolution triple-crystal diffractometr…
We examine hysteresis in cyclic voltammetry of Br electrosorption onto single-crystal Ag(100) by dynamic Monte Carlo simulations. At room temperature, this system displays a second-order phase transition from a low-coverage disordered phase to a doubly degenerate $c (2 \times 2)$ phase. The electrochemical potential i…
The electronic structures and the work functions of pristine and Cs-intercalated single-walled carbon nanotube bundles were investigated using ultraviolet photoemission spectroscopy. The valence bands of the pristine bundles were considerably altered from those of graphite. A spectral shift to the higher binding energ…
We use electrostatic force microscopy and scanned gate microscopy to probe the conducting properties of carbon nanotubes at room temperature. Multiwalled carbon nanotubes are shown to be diffusive conductors, while metallic single-walled carbon nanotubes are ballistic conductors over micron lengths. Semiconducting sin…
The temperature rise in sub-micrometer silicon devices is predicted at present by solving the heat diffusion equation based on the Fourier law. The accuracy of this approach needs to be carefully examined for semiconductor devices in which the channel length is comparable with or smaller than the phonon mean free path…
Eight adducts of Rh2(O2CCH3)4 with axial pyridine derivatives that contain hydrogen-bonding amino and/or steric methyl substituents in the 2- and 6-positions have been prepared and examined by electronic absorption and 1H NMR spectroscopy in solution and by elemental, IR, thermogravimetric, and X-ray diffraction analy…