Materials Literature
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Sodium triaqua[(1,2-ethanediyldinitrilo-κ 2 N,N')tetraacetato-κ 4 O 1 ,O 2 ,O 3 ,O 4 ]lanthanate(III) pentahydrate, Na[La(C 10 H 12 N 2 O 8 )(H 2 O) 3 ].5H 2 O, sodium triaqua[(1,2-ethanediyldinitrilo-κ 2 N,N')tetraacetato-κ 4 O 1 ,O 2 ,O 3 ,O 4 ]-neodymate(III) pentahydrate, Na[Nd(C 10 H 12 N 2 O 8 )(H 2 O) 3 ].5H 2…
The physical properties of the III-V semiconducting compounds, GaP, GaAs, and GaSb, have been calculated by employing a scalar relativistic version of the first-principles full-potential self-consistent linearized-muffin-tin-orbital method. The calculated values of the lattice parameters of the compounds are reproduce…
The structures of straight 90\ifmmode^\circ\else\textdegree\fi{} glide partial dislocations in SiC are calculated using an ab initio local density functional cluster method. Si partials containing core Si atoms are found to be strongly reconstructed with a Si-Si bond of comparable length to that in bulk silicon. The C…
The interfaces between highly (001)-oriented diamond films and the silicon (001) substrates were investigated by high-resolution electron microscopy. It was found that heteroepitaxially oriented grains which exhibit a defined orientation relationship to the substrate lattice grow directly on the clean silicon surface.…
Numerical calculations of the kinetic energy of various extensions of the one-dimensional Hubbard model including dimerization and repulsion between nearest neighbors are reported. Using the sum rule that relates the kinetic energy to the integral of the optical conductivity, one can detemine which parameters are cons…
Absorbance and site-selective fluorescence studies of Eu3+:Sr5(PO4)3F (Eu:SFAP) provide a nearly complete characterization of the Eu3+ energy levels. These results are compared with calculated energies generated by lattice-sum analysis. Eu3+ is found to occupy one site predominantly, but numerous minority sites are al…
Molecular-dynamics-simulation techniques have been used to investigate the effect of temperature on the three low index surfaces of nickel oxide. The surface energies for the {100}, {110}, and Ni {111} surfaces have been calculated as a function of temperature for NiO. The surface energies for all three surfaces were…
By controlling the extent of disorder through electrochemical synthesis at reduced temperatures, conducting polypyrrole (PPy) can be obtained in the metallic regime, in the insulating regime, and in the critical regime of the disorder-induced metal-insulator (M-I) transition. We present the results of reflectance meas…
Epitaxial PbTiO3 films were prepared by metalorganic chemical-vapor deposition on MgO(001)-, SrTiO3(001)-, and LaAlO3(001)-oriented substrates. Four-circle x-ray diffraction, transmission electron microscopy, Rutherford backscattering (RBS) channeling, and optical waveguiding were performed to characterize the deposit…
The gaseous equilibria MCl+Ag=M+AgCl and M+MCl2=2 MCl, where M=Cr, Mn, Fe, Co, and Ni were studied by mass spectrometry in the region around 1500 K, and thermochemical data were derived by second and third law methods. Dissociation energies of the metal monochlorides were evaluated by reference to AgCl, leading to the…
We present data on the dielectric relaxation in the random copolymer polybutadiene. There are two distinct peaks in the imaginary part of the dielectric susceptibility, one of which is attributable to an \ensuremath{\alpha} relaxation and the other to a Johari-Goldstein \ensuremath{\beta} relaxation. The bifurcation o…
Thermoelectric cooling, based upon the extraction of hot electrons and holes from a metallic electron gas, holds unrealized potential for refrigeration at cryogenic temperatures. We discuss the performance of two such electronic refrigerators: the quantum-dot refrigerator (QDR) and the normal-insulator-superconductor…
Abstract Short pineapple‐leaf‐fiber‐(PALF)‐reinforced low‐density polyethylene (LDPE) composites were prepared by melt‐mixing and solution‐mixing methods. In the melt‐mixing technique, a mixing time of 6 min, rotor speed of 60 rpm, and mixing temperature of 130°C were found to be the optimum conditions. Tensile proper…
We present a method for electronic-structure calculations based on the finite-element method. In this method all the calculations are performed in real space and the use of nonuniform mesh is possible. As a result, localized systems such as transition metals can be treated with ease, and even all-electron calculations…
The cap of a carbon nanotube is characterized by six five-membered rings called disclinations. Its electronic structure is studied by the simple tight-binding models for a monolayer nanotube. The method of the development map is used to systematically define the atomistic structures of the cap. The topological feature…
Electronic states of κ-(ET) 2 X are studied theoretically. The effects of the on-site Coulomb interaction and dimer structure have been explored at absolute zero within the Hartree-Fock approximation. If Coulomb interaction exceeds some critical value, localized spins which are antiferromagnetically ordered within a u…
We computer generate a model of amorphous diamond using the Wooten-Weaire method, with fourfold coordination everywhere. We investigate two models: one where four-membered rings are allowed and the other where the four-membered rings are forbidden; each model consisting of 4096 atoms. Starting from the perfect diamond…
Diamond samples with varying defect densities have been synthesized by chemical vapor deposition, and their field emission characteristics have been investigated. Vacuum electron field emission measurements indicate that the threshold electric field required to generate sufficient emission current densities for flat p…
Near-edge and extended x-ray-absorption fine-structure measurements from a wide variety of oxidized Si nanocrystals and H-passivated porous Si samples, combined with electron microscopy, ir absorption, forward recoil scattering, and luminescence emission data, provide a consistent structural picture of the species res…
Quantum-confined Stark effects (QCSE) on excitons, i.e., the influence of a uniform electric field on the confined excitons in semiconductor quantum dots (QD's), have been studied by using a numerical matrix-diagonalization scheme. The energy levels and the wave functions of the ground and several excited states of ex…