Optical functions of InGaP/GaAs epitaxial layers from 0.01 to 5.5 eV

In_0.49Ga_0.51P films, both undoped and doped n- and p-type (up to 10¹⁸ cm^-3), were grown lattice matched on GaAs substrates, with different miscut angles, by Metal-Organic Vapour Phase Epitaxy (MOVPE) at different temperatures. The shift of the fundamental gap E₀, caused by “ordering effect” was measured as a function of temperature by photoluminescence. The complex refractive index = n + ik and the dielectric function = ɛ ₁ + iɛ ₂ at room temperature were determined from 0.01 to 5.5 eV by using complementary data from fast-Fourier-transform far-infrared (FFT-FIR), dispersive, and ellipsometric spectroscopies. The effect of the native oxide was accounted for and the self-consistency of the optical functions was checked in the framework of the Kramers-Kronig causality relations. In the restrahlen region the dielectric function was well fitted by classical Lorentz oscillators; in the transparent region below E₀, the refractive index was modelled by a Sellmeier dispersion relation; in the interband region the dielectric function was well reproduced by analytical lineshapes associated to seven critical points. Thus parametrized analytical expressions were obtained for the optical functions all over the spectral range, without discontinuities, to be used in the modelling and characterization of multi-layer structures, also on opaque substrates. Received 13 December 2001 Published online 25 June 2002     

BSDEs and SDEs with time-advanced and -delayed coefficients

ABSTRACT

This paper introduces a class of backward stochastic differential equations (BSDEs), whose coefficients not only depend on the value of its solutions of the present but also the past and the future. For a sufficiently small time delay or a sufficiently small Lipschitz constant, the existence and uniqueness of such BSDEs is obtained. As an adjoint process, a class of stochastic differential equations (SDEs) is introduced, whose coefficients also depend on the present, the past and the future of its solutions. The existence and uniqueness of such SDEs is proved for a sufficiently small time advance or a sufficiently small Lipschitz constant. A duality between such BSDEs and SDEs is established.     

Calculation of amino acid hydrophilicity indices for retention of peptides on amide, diol and silica columns in normal-phase liquid chromatography

Summary A set of hydrophilicity parameters in a normal-phase liquid chromatography of peptides is presented in order to clarify the contribution of individual amino acid residues to peptide retention and to predict retention times. The retention of 100 peptides was studied using normal-phase liquid chromatography on amide, diol and silica columns. An acetonitrile-water mixed solution containing 0.2% trifluoroacetic acid +0.2% triethylamine was used as the mobile phase in a linear gradient elution system. The contribution of each residue upon retention was calculated by linear multiple regression analysis. This paper described the contribution values as “hydrophilicity retention coefficients”. Using these hydrophilicity retention coefficients, retention times could be predicted for peptides of known amino acid content and sequence. A set of hydrophilicity retention coefficients on each column was successfully explained by contributions to the degree of retention.     

Formulas and numerical table for the radial part of overlap integrals with the same screening parameters of Slater-type orbitals

 The numerical properties of the radial part of overlap integrals with the same screening parameters in the form of polynomials in p = ξR over Slater-type orbitals have been studied and obtained by using three different methods. For that purpose, the characteristics of auxiliary functions were used first, then Fourier transform convolution theorem, and recurrence relations for the basic coefficients of A ^s _{n l λ, n ′ l ′λ} were used. The calculations of the radial part of overlap integrals with the same screening parameters were made in the range 1 ≤ n ≤ 75, 1 ≤ n′ ≤ 75, and 10⁻⁶ ≤ p. Received: 18 January 2001 / Accepted: 5 April 2001 / Published online: 27 June 2001     

Solubility of copper (I) bromide in aqueous solutions of potassium bromide

The solubilities of cuprous bromide were measured at 24.8°C in aqueous KBr and in aqueous KBr-KNO₃ mixtures. The results have been analyzed to give equilibrium constanns from formation of neutral and negatively charged complexes of CuBr, and sets of virial parameters suitable for calculation of activity coefficients for the complexes.     

Diffusion in aqueous copper sulfate and copper sulfate-sulfuric acid solutions

Diffusion coefficients of copper sulfate-water and copper sulfate-sulfuric acid-water solutions have been determined at 25°C using conductimetric and diaphragm-cell techniques. The ternary diffusion measurements indicate that diffusion of sulfuric acid can produce large counterflows of copper sulfate and vice versa. If diffusion of copper sulfate in aqueous sulfuric acid solutions is treated as a binary process, the measured apparent diffusivities of copper sulfate can be 1 to 8% lower than the salt's true diffusivity. Equations are developed to predict transport coefficients from the concentrations and mobilities of the diffusing species.     

A comparative study of thermal pressure coefficients of liquid alkali metals using equation of state and dense fluid theory

ABSTRACT

A simple analytical expression is derived to calculate the thermal pressure coefficients of liquid alkali metals. First, a modified linear isothermal regularity is applied to calculate the thermal pressure coefficients for caesium (Cs) and rubidium (Rb) in different thermodynamic states. The results obtained show that the calculated thermal pressure coefficients increase with increase in the density and decrease in the temperature. The extent of deviation between the calculated thermal pressure coefficients from the modified regularity and experimental values reduce remarkably with respect to those obtained from the primary isothermal regularity. Secondly, the thermal pressure coefficients are determined by the accurate dense fluid theory for a hard-sphere system. A comparative study of the predicted thermal pressure coefficients for both Cs and Rb shows that the results obtained by the isothermal regularity theory are closer to the experimental data with respect to the ones obtained from the statistical thermodynamic method.     

Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Data have been compiled from the published literature on the partition coefficients of solutes and vapors into anhydrous sulfolane. The logarithms of the water-to-sulfolane partition coefficients, log P, and gas-to-sulfolane partition coefficients, log K, were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values for solutes dissolved in sulfolane to within average standard deviations of 0.14 log units or less. The log P correlation was extended to include the partition of ions by inclusion of a cation-solvent and an anion-solvent term.