Molecular liquid model and electronic structure of amorphous silicon and germanium

Abstract

The atomic and electronic structure of amorphous Si and Ge are investigated by the molecular liquid model (MLM). The theoretical structure factor is calculated using simple parameters -nearest neighbor distance, packing density, and coordination number. The electronic density of states obtained with the MLM structure factor, and nonlocal energy dependent pseudopotential in second order perturbation theory, show good agreement with experimental and other theoretical results.