Simulation of the atomic arrangements in amorphous silicon and germanium

Abstract

The atomic arrangements in amorphous germanium and silicon are simulated by means of a computer program. In this treatment a disordered system of 64 atoms in a cubic box with periodic boundary conditions is taken as the initial configuration. Each atom is considered in turn and the four nearest and twelve second-nearest neighbors are moved radially towards the nearest and next nearest neighbor distances. The resulting radial distribution function is in good agreement with experiment. © 1972.