Materials Literature
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Emission spectra from the parity-allowed electronic transitions between the lowest crystal field level of the 6d1 configuration to all the electronic levels of the 5f1 configuration of Pa4+ diluted into single crystals of Cs2ZrCl6 at 4.2 K show highly structured vibronic sidebands. Vibronic progressions are seen along…
Investigations on the lattice dynamics of muscovite and vermiculite have been carried out by inelastic neutron scattering and Raman scattering. In the neutron measurements, dispersion curves for the out-of-plane and in-plane LA and TA phonons were fully obtained for muscovite, while more limited data were obtained for…
Angle-resolved synchrotron-radiation photoemission spectroscopy was used to determine the spin-orbit splitting between the ${\mathrm{\ensuremath{\Gamma}}}_{8}$ and ${\mathrm{\ensuremath{\Gamma}}}_{7}$ valence bands and to map the dispersion E(k) of the light- and heavy-hole bands as well as the split-off valence band…
Photochemically induced dynamic nuclear polarization (photo-CIDNP) techniques have been used to examine denatured states of lysozyme produced under a variety of conditions. 1H CIDNP difference spectra of lysozyme denatured thermally, by the addition of 10 M urea, or by the complete reduction of its four disulfide bond…
The electron density distribution of the solvent in the cubic insulin crystal structure, which occupies 65% of the volume, has been mapped from 1.7-A resolution diffraction data by an iterative difference Fourier method, using the previously determined protein structure as the refinement restraint. Starting with phase…
Part 1 The growth of children and young adolescents: the basic patterns of growth the sizing criteria of age and height the anthropemetrical divisions. Part 2 System development: anthropemetrical research the establishment of principles the sub-systems for each group the master grading chart for children's clothes the…
The first sharp diffraction peak (FSDP), a signature of medium-range order in molten and vitreous chalcogenides, is investigated using the integral-equation method. A variety of interatomic potentials, including uncharged and charged hard spheres, and realistic two-body interactions, are used in this study. The two-bo…
An ‘‘optical-data’’ model for describing the dielectric response function of a medium was introduced earlier to predict energy-loss rate and inelastic mean free path for low-energy (<10-keV) electrons and positrons. The model is used here to calculate energy-loss probabilities for electrons, positrons, and prot…
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…