Materials Literature
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We report the experimental results for magnetic susceptibility, thermopower, and magnetoresistance of highly conducting ${\mathrm{I}}_{2}$-doped new polyacetylene, N-(CH${)}_{\mathit{x}}$. These measurements deal with the density of states at the Fermi energy, its local structure, and conduction-electron relaxation ti…
X-ray-absorption fine-structure (XAFS) data in the binary chalcogenide glass system ${\mathrm{Ge}}_{\mathit{x}}$${\mathrm{Se}}_{100\mathrm{\ensuremath{-}}\mathit{x}}$ system are presented and discussed. Phase-corrected Fourier transforms in a curved-wave XAFS simulation formalism are employed in analysis of the data,…
It is shown that the infrared and Raman spectra of polythiophene, pristine, doped or photoexcited as well as the spectra of the oligomers pristine and doped are accounted for by the effective conjugation coordinate theory. An effective conjugation force constant associated with the delocalization of the π electrons is…
We calculate the structural and electronic properties of cubic ZnS using a pseudopotential plane-wave method and compare the results with an all-electron linearized-augmented-plane-wave calculation. The agreement between the two electronic structure methods is excellent, and the calculated structural properties are in…
We report the results of a recent study on the in situ deposition of single phase BaTiO3 thin films by using the metalorganic chemical vapor deposition technique. The effects of growth parameters on the characteristics of the thin films were investigated in the substrate temperature range of 550–800 °C. Barium β-diket…
Because of new studies questioning an earlier determination of the thermochemistry of UF5(g), we have reexamined the gaseous equilibrium Ag+UF5=AgF+UF4 by mass spectrometry over a broader temperature range, and have obtained more definitive results, leading to Δf H0298 (UF5,g)=−1929±10 kJ mol−1. Included was an indepe…
Systematic analysis is carried out for 4 f core photoemission spectra of actinide oxides AcO 2 for Ac=Th∼Bk, using the impurity Anderson model including the exchange interaction J between 5 f electrons. The effect of J is important in explaining the observed photoemission spectra, especially for PuO 2 , AmO 2 and CmO…
The mechanism of electrochromism for an amorphous WO3 film has been studied. The film was prepared by using vacuum evaporation. X-ray phototelectron spectroscopy analysis has revealed that a state appears below the Fermi level after coloration in a LiClO4-propylene carbonate electrolyte and that the Fermi level increa…
By comparing calculated lattice constants with x-ray data as well as by comparison of calculated free energies, we find that the correct structure of ${\mathrm{B}}_{13}$${\mathrm{C}}_{2}$ is ${\mathrm{B}}_{12}$(CBC) rather than ${\mathrm{B}}_{11}$C(BBC), as had been suggested. We also show that ${\mathrm{B}}_{12}$${\m…
The geometric and electronic structure of clean and oxygen-dosed ${\mathrm{Cu}}_{2}$O single-crystal surfaces was studied with x-ray and ultraviolet photoelectron (UPS) spectroscopies and low-energy electron diffraction. The nonpolar (111) surface can be prepared in a nearly stoichiometric (1\ifmmode\times\else\textti…
The vibrational dynamics of oligomers of thiophene is treated theoretically and the experimental infrared and Raman spectra are studied with the main purpose to derive information for the interpretation of the spectra of polythiophene. The optimized geometries and the vibrational force field are calculated for the oli…
We have employed 16O(α,α)16O oxygen resonance measurement and transmission electron microscopy to study the oxidation and reduction of copper oxide thin films. The in- and out-diffusion of oxygen-induced oxygen concentration variations and microstructural changes in the films were monitored. The study of reduction was…
Raman spectra of ${\mathrm{GeO}}_{2}$ glass are recorded in situ as a function of pressure to 56 GPa at room temperature. Under initial compression to 6 GPa the main 419-${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$ Raman band shifts to higher frequency and broadens with a gradual loss of intensity. These spectral change…
For p-nitroaniline the ab initio method with a double-zeta basis set which includes semidiffuse polarization functions has been used to calculate the dipole moment μ, frequency-dependent linear polarizability α, and nonlinear hyperpolarizabilities β and γ using the time-dependent coupled perturbed Hartree–Fock approac…
Amorphous carbon a-C and amorphous hydrogenated carbon a-C:H films were prepared by rf sputtering of a graphite target in argon and argon-plus-hydrogen atmospheres, respectively. The optical-absorption coefficients of these films were measured by a spectrophotometer in the high-absorption range and by photothermal def…
Inelastic-scattering cross sections of 300--10 000-eV electrons in Si, Ti, Fe, and Pd and of 300--2000-eV electrons in Cu, Ag, and Au have been investigated theoretically and experimentally. The product of the inelastic mean free path and the cross section were determined experimentally through an analysis, based on a…
We have investigated the adsorption of NO on a thin NiO(100) film of several layers thickness grown on top of a Ni(100) surface in comparison with data of an in vacuo cleaved NiO(100) single crystal. The layer exhibits a high defect density. We demonstrate via application of several surface-sensitive electron-spectros…
The crystal structure of a host defense system chemotactic factor, interleukin 8, has been solved by molecular replacement using as a model the solution structure derived from nuclear magnetic resonance experiments. The structure was refined with 2 A x-ray data to an R factor of 0.187 (0.217 at 1.6 A). A comparison in…
A chemical kinetic model is developed that includes detailed descriptions of both gas-phase and surface processes occurring in gas-activated deposition of diamond films on diamond (111) surface. The model was tested by simulating diamond film deposition in a hot-filament reactor using methane-hydrogen, methane-argon,…
The third-order optical nonlinearity χ(3), linear absorption coefficient α, and the two-photon absorption coefficient β of two nickel dithiolene complexes are reported. The nonlinearities were measured at 1064 nm using 100 ps pulses. Molecular nonlinearities 103 times those of carbon disulphide were observed. Two figu…