Application of new method in quantum-mechanical calculations of the structural properties and the formation energy of the ordered Mu - phase in the Fe - Mo system

A new technique of finding the minimum total energy, calculated by quantum mechanical calculations, for hexagonal Mu- (μ-) phases of stoichiometric compositions taking into account relaxation, as well as optimized crystal lattice parameters for different compositions in the Fe-Mo system, has been applied. The convergence of the total energy is investigated as a function of the number of plane waves (k) in the range 2000 ÷ 105. Differences in the structural energies between bcc, C14 Laves and μ- phases of pure components, as well as the formation energies of μ- phases of stoichiometric compositions Fe9Mo4, Fe7Mo6 and Fe6Mo7 are calculated.

DIELECTRIC RELAXATION IN CLAYS SATURATED WITH WATER-OIL EMULSION IN A WIDEBAND OF FREQUENCIES AT POSITIVE AND NEGATIVE TEMPERATURES

The results of measuring the complex dielectric constant of clays saturated with an oil-water emulsion in various ratios in a wide frequency range are presented. The measurements were used out at positive and negative temperatures. It was revealed that several relaxation processes are observed in the spectra. The processes parameters significantly depend on the temperature and the ratio of water and hydrocarbon to the saturating mixture. A model is proposed that makes it possible to take into account relaxation processes and their dependence on temperature.

On variation of charge carrier mobility under influence of mismatch-induced stress in a heterostructure

Purpose The purpose of this paper is to analyze the manufacturing of diffusion-junction heterorectifier with account relaxation of mismatch-induced stress. On the basis of the analysis, the authors formulate recommendations to increase sharpness of the p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. Design/methodology/approach The authors formulate recommendations to increase sharpness of p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. To formulate the recommendations, the authors analyzed the manufacturing of the junction. The authors introduce an analytical approach to analyze the manufacturing. Findings The authors find a possibility to increase sharpness of p-n-heterojunction, homogeneity of concentration of dopant in the junction and charge carrier mobility. Originality/value The results are original.