Materials Literature
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The linear and nonlinear optical responses in a large number of cubic insulators are studied by means of first-principles local-density calculations. Complete results on band structures, frequency-dependent dielectric functions, and frequency-dependent third-order nonlinear susceptibilities ${\mathrm{\ensuremath{\chi}…
Fluorinated amorphous carbon films were proposed as low dielectric constant interlayer dielectrics for ultralarge scale integration circuits. The films were deposited by plasma enhanced chemical vapor deposition with CH4 and CF4 in a parallel plate rf (13.56 MHz) reactor. The dielectric constant of the amorphous carbo…
Optical study of trivalent 3 d transition metal oxide compounds R M O 3 with perovskite-type structure has revealed the variation of their electronic structures with the 3 d element M and rare earth element R . The low energy feature is governed by electronic states in the M - O network. The charge gap, either of the…
By combining reflectance spectroscopy and spectroscopic ellipsometry, the complex dielectric function of SrTiO3 in the frequency range 40–5000 cm−1 at 20, 100, 200, and 300 K has been determined. Using a factorized description, analytical expressions for the optical quantities were derived, giving excellent agreement…
Generalized gradient approximations (GGA) for the exchange-correlation energy have been suggested to improve upon the local-density approximation (LDA) in density-functional theory. It has been demonstrated by various authors that the gradient correction suggested by Becke for the exchange functional and Perdew for th…
We study the roughness of randomly crumpled elastic sheets. Based on analytical and numerical calculations, we find that they are self affine with a roughness exponent equal to one. Such crumpling occurs {\it e.g.\/} when wet paper dries. We also discuss the case of correlated crumpling, which occurs in connection wit…
A model for carbon nanotube formation in the arc discharge has been developed. The model is based on the physical properties of the arc discharge plasma where the interplay of the two major components of the bimodal carbon velocity distribution (Maxwellian and directed) dominates the nanotube creation process in a zon…
The optical absorption edge of CuO single crystals has been investigated by reflectance and transmittance measurements at different temperatures. An exponential decay of the absorption has been detected, while temperature dependence of the edge and of the steepness between 10 K and room temperature indicate a large co…
Seebeck, electrical, and thermal conductivity data are reported on CoSb3, and doped and undoped alloys of Co1−xIrxSb3−yAsy from 20 to 700 K. n-type semiconductors were obtained by doping with Ni, Te, or Pd, and the hole concentration in p-type samples was increased by substitution of Fe, Ru, Os, and Ge. An estimated m…
We present a discrete dipole approximation (DDA) method to determine extinction and Raman intensities for small metal particles of arbitrary shape. The Raman intensity calculation involves evaluation of surface electromagnetic fields, and thus is relevant to surface enhanced Raman scattering (SERS) intensities. We dem…
The trapping parameters, namely the activation energy E, frequency factor s and b order of kinetics of the thermoluminescence (TL) peaks of calcites (brown and colourless varieties) irradiated with 4.08 kGy of gamma -rays, are determined using the least-squares curve-fitting technique. The electron lifetime tau of the…
A method was developed in the early 1960s by Harman and Honigt for testing the AC resistance and figure-of-merit, Z, of a thermoelectric material sample. This method provided a direct measurement of Z, but lacked precision and reproductibility, primarily due to the mechanical and electronic limitations of the instrume…
Based on the electro-optic Pockels effect, a modified optical measurement technique for studying residual surface charge distribution is developed. A simple relationship between the total optical retardation distribution and the light intensity distribution of the difference of the detected images is deduced. The tota…
High-quality indium tin oxide (ITO) films were deposited by reactive DC sputtering on glass and quartz substrates. Both pure H 2 O vapour and O 2 were used as reactive sputtering atmospheres. The electrical parameters, free carrier concentration and carrier mobility as well as the resistivity of the ITO films were opt…
34.4 Introduction Systematic Search Historical Review New Materials Phonon Glasses Desired Performance PGEC Relaxation of A,,. Assumption Band Gaps of Semiconductors Carrier Mobilities Background Explanation Electronegativities and Good Thermoelectric Semiconductors Dopant and Mixed-Crystal Effects on Mobilities Dopan…
Ab-initio dynamical simulation is used to study the liquid Ga-Se system at the three concentrations Ga$_2$Se, GaSe and Ga$_2$Se$_3$ at the temperature 1300~K. The simulations are based on the density functional pseudopotential technique, with the system maintained on the Born-Oppenheimer surface by conjugate gradients…
We report the first six-dimensional quantum dynamical calculations of dissociative adsorption and associative desorption. Using a potential energy surface obtained by density functional theory calculations, we show that the initial decrease of the sticking probability with increasing kinetic energy in the system H_2/P…
We construct a class of periodic tilings of the plane, which corresponds to toroidal arrangements of trivalent atoms, with pentagonal, hexagonal and heptagonal rings. Each tiling is characterized by a set of four integers and determines a toroidal molecule. The tiling rules are motivated by geometric considerations an…
A preclinical toxicology study of intraperitoneally administered liposome encapsulated doxorubicin and free doxorubicin was carried out in beagle dogs. Dogs received single intraperitoneal infusions of 1.5 mg free or 1.5, 2.25 or 3.37 mg liposomal doxorubicin/kg. One group of four dogs received 1.5 mg liposomal doxoru…
Abstract The effect of temperature, postcure, and fiber orientation on water absorption were examined for Kerimid® 723 bismaleimide resin. The effect of fiber orientation was also examined for Avimid® N and BASF X‐5260. Water absorption in Kerimid® 723 was found to have an Arrhenius temperature dependence, depend on d…