Full-band Monte Carlo simulations of high-field electron transport in GaAs and ZnS

Abstract

We study the high-field transport in GaAs and ZnS based on ab initio band structures determined within density-functional theory using an exact exchange formalism with a local-density approximation for correlations. The transport properties are gained from ensemble Monte Carlo simulations where all relevant scattering mechanisms are considered including a realistic impact ionization rate. Important results are shown for the drift velocity, the mean kinetic energy, and the valley occupation.