Density of states calculation for crystalline As and Sb

Abstract

Valence bands of As and Sb are described by a local orbital method in which matrix elements between neighbouring atoms are calculated with no empirical paremeters. The occupied band are consistent with other calculations. The simplicity of the method allows the density of states to be obtained and this agrees closely with photoemission data. The approach should be equally valid for an amorphous network. © 1975.