THE RADIAL DISTRIBUTION OF ELECTRONIC DENSITY FOR BINARY ALLOYS OF ALUMINIUM AND TRANSITION METALS

摘要

A computation of the radial distribution of electronic density for binary alloys of aluminium and transition metals is realized within its dependence on components concentration. The most significant values were analyzed in consideration of the atomic sphere approximation. It was shown that some divergence from the optimal model behavior occurred while the effective single-site electron-ion potential in the case of binary alloys was being built. This divergence is sufficiently small and weakly affects the electronic structure in most cases.