Materials Literature
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The ${\mathrm{VC}}_{0.80}$(111) surface forms a metastable 1\ifmmode\times\else\texttimes\fi{}1 structure upon argon-ion bombardment and annealing at a temperature not exceeding 1000 K. We study this structure by low-energy electron diffraction and are able to determine the relaxation and composition of a four-layer s…
Self-energy effects (frequency shifts and line broadenings) due to isotopic disorder on the off-zone-center (q\ensuremath{\ne}0) phonon spectra in natural Ge have been investigated by comparing infrared transmission spectra of an isotopically enriched germanium crystal (86% $^{76}\mathrm{Ge}$) and a natural Ge crystal…
The reference interaction site model (RISM) integral-equation approach to polymeric liquids is generalized to allow a self-consistent determination of single-chain and intermolecular pair correlations. Nonlinear medium-induced effects on intrachain statistics are described at the level of self-consistent pair interact…
The study of the electronic properties of small particles is of major interest because of their intriguing physicochemical properties. The very small electron probes available in scanning transmission electron microscopes offer unique capabilities for investigating small particles with subnanometer spatial resolution.…
The static longitudinal dielectric function εL(k) is calculated for several polar interaction site model (ISM) fluids for comparison with related models having arbitrary short-range interactions and a set of one or more lower-order multipole moments at the centers (ΩM models). The requisite averages over the ISM fluid…
We have investigated the effect of pressure on the lowest direct band-edge exciton of the layered semiconductor InSe by optical-absorption measurements at 10 K and for pressures up to 4 GPa. The Elliott-Toyozawa formalism is used to analyze the line shape of the exciton absorption spectra. In this way we determine the…
Abstract Cellulosic materials, namely bleached bamboo pulp, jute fibers, and sawdust dyed with a reactive dye of monochlorotriazine type were used in the column studies for removal of different metal ions. The use of an adsorption column makes the process continuous, so that it is economically viable on an industrial…
We have calculated the bulk modulus and all the elastic moduli that can be obtained from uniaxial strains of ${\mathrm{B}}_{12}$, ${\mathrm{B}}_{12}$${\mathrm{C}}_{3}$, ${\mathrm{B}}_{13}$${\mathrm{C}}_{2}$, ${\mathrm{B}}_{12}$${\mathrm{O}}_{2}$, and ${\mathrm{B}}_{12}$${\mathrm{As}}_{2}$. All atoms are allowed to rel…
The electronic and magnetic structure of the antiperovskite-structure transition-metal nitrides ${\mathrm{NiFe}}_{3}$N and ${\mathrm{PdFe}}_{3}$N are calculated employing the augmented-spherical-wave method. From these calculations the binding character is found to be mainly covalent for the nitrogen-iron bonds and me…
We calculate the isotope and temperature shifts of the indirect and direct band gaps in natural silicon (M\ifmmode\bar\else\textasciimacron\fi{}=28.09 u), in natural diamond $^{12}\mathrm{C}$ and its isotope $^{13}\mathrm{C}$, in natural germanium (M\ifmmode\bar\else\textasciimacron\fi{}=72.59 u), and the isotope $^{7…
We present results of all-electron molecular relativistic (Hartree–Fock–Dirac) and nonrelativistic (Hartree–Fock) calculations followed by a complete open shell configuration interaction (COSCI) calculation on an EuO9−6 cluster in a Ba2GdNbO6 crystal. The results include the calculated energies of a number of states d…
Fe100−xCox powders were prepared by mechanical alloying of the elements in a planetary ball mill. They were investigated with respect to phase formation and magnetic properties using x-ray diffraction, differential scanning calorimetry, and measurements of the saturation magnetization and the coercivity. The measureme…
High-precision, large-basis-set calculations, in the local-density approximation (LDA) (using the all-electron, full-potential, linear combination of Gaussian orbitals, fitting-function technique), of the cohesive properties and electronic states (bare Kohn-Sham energies) of the isolated AB dilayer of graphite are rep…
X-ray-absorption measurements at the Cu ${\mathit{L}}_{2,3}$ and O K edges of ${\mathrm{Cu}}_{2}$O reveal the presence of unoccupied states of predominantly Cu d and O p character at the bottom of the conduction band. We find that spectral features up to 25 eV from threshold can be assigned to structures in the calcul…
It is an open question if ``metallic'' polymers have one-dimensional or three-dimensional conduction states. We investigate this issue by studying a model polymer, the HCl-doped emeraldine salt form of oriented polyaniline (PAN-ES) through the temperature dependence of the dc conductivity, thermoelectric power, comple…
Although crucial to our understanding of skeletal evolution in marine invertebrates, the cost of calcification has remained elusive for a simple reason: CaCO3 is an inorganic material. Its cost thus derives solely from the metabolic expenses of accumulating, transporting, and precipitating CaCO3 and cannot normally be…
We have investigated the tissue distribution, toxicity, and antitumor activity of anthracyclines encapsulated in hydrogenated phosphatidylinositol (HPI)-containing liposomes which show a characteristic long circulation time in plasma (J. Natl. Cancer Inst., 81: 1484-1488, 1989). Phosphatidylglycerol (PG)-containing li…
We follow the cluster formation when depositing less than 2 monolayers Cu onto a monocrystalline αAl 2 O 3 (0001) stoichiometric surface, by combining XPS and X-ray absorption spectroscopy at the Cu K edge (EXAFS, XANES). An estimate of the evolution of cluster size with copper deposition is given from XANES and EXAFS…
Polycrystalline diamond films synthesized by microwave-assisted chemical vapor deposition (MACVD) were examined with transient photoconductivity, and two fundamental electrical transport properties, the carrier mobility and lifetime, were measured. The highest mobility measured is 50 centimeters squared per volt per s…
A binary aqueous suspension of large (L) and small (S) nearly-hard-sphere colloidal polystyrene spheres is shown to segregate spontaneously into L-rich and S-rich regions for suitable choices of volume fraction and size ratio. This is the first observation of such purely entropic phase separation of chemically identic…