Materials Literature
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We study the exciton-phonon coupling in spherical quantum dots (QD's) of cubic semiconductors. Both the Fr\"ohlich and deformation interactions are considered with allowance for all types (LO, ${\mathrm{T}}_{2}\mathrm{O}$, ${\mathrm{T}}_{1}\mathrm{O}$, and SO) of optical phonons. The matrix elements of one-phonon tran…
Complex permeability spectra μ*(=μ′−iμ′′) in a Ni–Zn ferrite was studied in the frequency range from 10 kHz to 3 GHz under dc magnetic field up to 1000 Oe. In the absence of a dc magnetic field, the μ′ spectrum has a frequency dispersion above 1 MHz; the μ′′ spectrum has a maximum at about 2 MHz. This feature can be d…
omega-Methacryloyloxyalkyl phosphorylcholine (MA-PC) polymers which have been synthesized with attention to the surface structure of a biomembrane show excellent blood compatibility, i.e., resistance to protein adsorption and blood cell adhesion. To clarify the stability of platelets in contact with the MAPC polymer s…
We report results of a molecular dynamics study of liquid glycerol at the experimental density and at a series of elevated densities corresponding in our model to pressures of up to 0.7 GPa. We find that the degree of hydrogen bonding increases with increasing pressure over the range studied, and that the width of the…
A simple electrostatic model of the adsorbate–adsorbate interaction of hydrogen atoms at a Pd–SiO2 interface is presented. The model predicts a hydrogen adsorption isotherm of the Temkin type. It is found that, in practice, an upper limit for the hydrogen response of a Pd-metal-oxide-semiconductor device exists. The v…
Rates of chemical reactions in an air bubble are calculated numerically under a condition of the single-bubble sonoluminescence (SBSL) and that of non-light-emission. In the calculations, effect of non-equilibrium evaporation and condensation of water vapor at the bubble wall and that of thermal conduction both inside…
Electron-energy-loss spectroscopy in a scanning transmission electron microscope has been used to study the interface plasmon peak (IPP) observed at the ${\mathrm{S}\mathrm{i}/\mathrm{S}\mathrm{i}\mathrm{O}}_{2}$ interface. A precise line-spectrum recording shows a shift of the interface plasmon peak from 7.8 to 6.8 e…
The photoluminescence intensity at 580 nm for 2--3 nm ZnS doped with ${\mathrm{Mn}}^{2+}$ (ZnS:Mn) increases after modification by acrylic acid (AA). ${\mathrm{Mn}}^{2+}$ electronic states are examined by electron paramagnetic resonance (EPR) spectroscopy. Signal I with $g=2.0024$ and hyperfine coupling constant $|A|=…
We study a highly supercooled two-dimensional fluid mixture via molecular dynamics simulation. We follow bond breakage events among particle pairs, which occur on the scale of the $\alpha$ relaxation time $\tau_{\alpha}$. Large scale heterogeneities analogous to the critical fluctuations in Ising systems are found in…
We have studied by means of ab initio calculations including electron correlation and cluster models the formation energies of a series of defects in bulk ${\mathrm{SiO}}_{2}$ and in silica glasses containing Ge impurities. The defects considered include oxygen vacancies, \ensuremath{\equiv}Si---Si\ensuremath{\equiv},…
Epitaxial Sm–Co(11̄00) and (112̄0) films have been grown by magnetron sputtering onto Cr(211) and (100) buffer layers, respectively. The Sm–Co(11̄00) films exhibit uniaxial in-plane anisotropies of ≈20–25 T and room-temperature coercive fields that increase to 4.1 T as the film thickness decreases to 75 Å. The 3 T coe…
We present a detailed ab initio study of the electronic and structural properties of the recently discovered $R8$ phase of silicon. Within the framework of density-functional theory in the local-density approximation and using pseudopotentials with a plane-wave basis, we study the energetics of the $R8$ phase compared…
We investigate the electron-hole interactions in spherical silicon nanocrystals by incorporating Coulomb, exchange, and spin-orbit couplings into a tight-binding model. We study the effect of the electron-hole attraction on the absorption spectra and on the dielectric constant, using a real-time propagation technique.…
The relative chemical stability of two commercially available polyurethanes-Pellethane, currently used in biomedical devices, and Corethane, considered as a potential biomaterial-was investigated following aging protocols in hydrolytic and oxidative conditions (HOC, water, hydrogen peroxide, and nitric acid) and in ph…
The structural and electronic properties of ${\mathrm{Cu}}_{2}\mathrm{O}$ have been investigated using the periodic Hartree-Fock method and a posteriori density-functional corrections. The lattice parameter, bulk modulus, and elastic constants have been calculated. The electronic structure of and bonding in ${\mathrm{…
Bond rotation defects close the gap in large-gap nanotubes, open the gap in small-gap nanotubes, and increase the density of states in metallic nanotubes. Not only are these defects likely to be present in as-grown nanotubes, but they could be introduced locally into intact nanotubes, thereby opening a new road toward…
The molecular dynamics in the glass transition of the ``quasi''--van der Waals glass salol confined to nanopores (2.5, 5.0, and 7.5 nm) with lubricated inner surfaces is found to be faster (by up to 2 orders of magnitude) than in the bulk liquid. This effect of confinement is more pronounced for smaller pores. It refl…
Bound magnetic polarons (BMP's) in $p$-type ${\mathrm{Cu}}_{2}{\mathrm{Mn}}_{0.9}{\mathrm{Zn}}_{0.1}{\mathrm{SnS}}_{4}$ were investigated using magnetization measurements. The magnetization $M$ was studied from 2 to 60 K in magnetic fields up to 55 kOe. The data show the characteristic features of BMP's in the collect…
Conducting polymers that can be switched between a neutral state and a doped state are of interest for charge storage applications. We report on the fabrication of an all-polymer charge storage device incorporating derivatized polythiophene films electropolymerized onto graphite-coated polymeric supports and a polymer…
Calculations have been performed using the generalized-gradient approximation (GGA) for the exchange-correlation functional of Perdew, Burke, and Ernzerhof (PBE) within density-functional theory for atoms, clusters, and crystals, including crystalline C, Al, Si, and GaAs. The calculations of the atomic total energy an…