Elastic properties and optical spectra of ZnS1−xOx dilute semiconductor alloys

Abstract

The elastic properties and optical spectra are studied for zinc-blende ZnS1−xOx dilute semiconductor alloys in the generalized gradient approximation of the density-functional formalism. The calculations are performed with the full potential linearized augmented plane wave method. The emphasis of this work is on the effect of low oxygen concentration on the studied properties. The theoretical results are compared to values extracted from experiments and showed generally good agreement. The investigated properties are found to be affected by adding only a small amount of oxygen atoms to ZnS. The present study may be useful for photovoltaic materials for solar cells.