Pseudopotential calculations of Cd1−xZnxTe: Energy gaps and dielectric constants

In this paper we present a study of the energy gaps, dielectric constants and their composition dependence in zinc-blende Cd1−xZnxTe over the entire composition range (x from 0 to 1) at room temperature using pseudopotential formalism under a modified virtual crystal approximation which takes into account the effect of compositional disorder. It is showed that the theoretical model must include disorder effects in order to get a meaningful agreement with experiment. The theoretical expression which describes the compositional dependence of the fundamental energy gap is in good agreement with that observed by Tobin et al. [J. Electron. Mater. 24 (1995) 697].