Materials Literature
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The electronic and transport properties of a perfect amorphous graphitic carbon model constructed by Townsend et al. [Phys. Rev. Lett. 69, 921 (1992)] are studied by first-principles calculations within the local-density approximation. It is shown that such a random system with two-dimensional interaction in a three-d…
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” opt…
In order to determine the origin of the long-wavelength photoluminescence spectra of CdS-doped glasses, luminescence spectra from glasses doped with CdSx having various Cd to S ratios were examined. The intensity of the luminescence peak decreased with increasing sulfur content, which indicates that the luminescence c…
Two bimolecular layers forming a double-layered polytypic structure exist in a repeating unit along the stacking direction. The acyl chain inclines toward the ab plane by 27 o and the direction of the inclination is turned by 180 o at every stacking of bimolecular layers. One bimolecular layer has essentially the same…
Structures of the mutant p-hydroxybenzoate hydroxylases, Tyr201Phe, Tyr385Phe, and Asn300Asp, each complexed with the substrate p-OHB have been determined by X-ray crystallography. Crystals of these three mutants of the Pseudomonas aeruginosa enzyme, which differs from the wild-type Pseudomonas fluorescens enzyme at t…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTTheoretical and experimental investigation of internal reflection at thin copper films exposed to aqueous solutionsKenneth P. Ishida and Peter R. GriffithsCite this: Anal. Chem. 1994, 66, 4, 522–530Publication Date (Print):February 15, 1994Publication History Published onlin…
We report transport and magnetic properties for single-crystalline CaVO 3 , which are seriously affected by oxygen off-stoichiometry. The electrical resistivity of a stoichiometric sample is well fit by the relation ρ=ρ 0 + A T 2 in an extremely wide temperature range. Oxygen off-stoichiometry causes the systematic in…
High-energy ion-scattering spectroscopy, x-ray-photoemission spectroscopy, and low-energy electron diffraction (LEED) were used to study the growth of very thin Ti films on Al(110) surfaces at room temperature. The Al surface peak areas in the backscattering spectra of 0.96-MeV ${\mathrm{He}}^{+}$ ions, incident along…
Abstract A diatomic charge density distribution function may be partitioned into free atom and delocalization components. Integrating the electrostatic force on one of the nuclei as the atoms join to bond yields a repulsive atom superposition energy E r ( R ) and an attractive delocalization energy E d ( R ) which, wh…
We propose a model for porous silicon, an irregular structure obtained by removing some silicon atoms randomly from a perfect silicon crystal. It is shown by using two-dimensional clusters with a tight-binding model that this model exhibits the energy-gap widening and the nonexponential decay of the photoluminescence…
Classical trajectory calculations were employed to study diamond (100) surface reconstructions. Atomic forces were computed from two types of potential-energy functions. A quantum mechanical potential based on the semiempirical PM3 (parametric method number three) Hamiltonian was used to describe the central core of t…
Using a micro-Raman setup, in-plane Raman scattering was performed on short-period (001)-Si/Ge superlattices, and the complete phonon spectrum (longitudinal and transverse, optical and acoustic modes) could be studied. In the relevant wave-vector range, the in-plane dispersion was found to affect the frequencies of fo…
Single crystals of barium zirconium sulfide, Ba 3 Zr 2 S 7 , were prepared from BaS, Zr and S at 1323 K by using a BaCl 2 flux. The compound belongs to the Ruddlesden-Popper (A n+1 B n X 3n+1 ) family with A=Ba, B=Zr, X=S and n=2. It is isostructural to Sr 3 Ti 2 O 7 and crystallizes in alternately stacked double pero…
Electronic structures in metallic and insulating phases of the Li, Cu, and Ba complexes of 2,5-R1,R2-DCNQI [R1=R2=Br (abbreviated as DBr) or R1=R2=CH3 (abbreviated as DMe); DCNQI=N,N′-dicyanoquinonediimine; 2,5- is usually omitted] have been studied by observing temperature dependencies of their infrared absorption ba…
The optical behavior of polycrystalline SILSO silicon wafers with a mechanically V-grooved surface has been studied between 300 and 1500 nm. The texturization was carried out by a conventional dicing saw using beveled blades. For a 35° V-grooved surface and a nonmetallized backside the optical path length in the weakl…
We present theoretical studies of various hydrocarbon radicals and molecules on the (100) surface of diamond. We use molecular dynamics and a dynamical quenching algorithm to calculate the energetics of different adsorption configurations, allowing for full relaxation of the underlying lattice. We use a parametrized m…
Radial properties of starburst polymers are calculated by renormalization group techniques starting from the Edwards model of the chain. The calculations are carried out for a polymer in good solvents grown out to an arbitrary number of generations g and having an arbitrary branch functionality f. Excluded volume effe…
Several porous silicon, siloxene (Si6H6O3), heat-treated siloxene, and layered polysilane (Si6H6) samples have been studied with K- and L-edge x-ray photoabsorption, photoemission, and powder x-ray diffraction. The x-ray absorption of layered polysilane and porous-Si are found to be remarkably similar. In particular,…
Micromagnetic numerical computations are used to simulate the equilibrium magnetization distribution within (periodic) stripe patterns in thin films with a canted easy axis and intermediate quality factor. Two thicknesses are considered, either close to the critical thickness for domain nucleation in zero field or in…
Grafted polymer layer composed of a binary mixture of incompatible chains under good solvent condition is simulated using the bond-fluctuation model. The equilibrium structures of the partially phase separated states are investigated as a function of the incompatibility and relative fraction by monitoring the monomer…