Study of electronic properties of doped arsenic based chalcogenide glasses

Abstract

Arsenic based chalcogenides materials are considered as potential candidates for many optical applications. Doping of these materials with suitable impurities may serve as an effective way to improve their semiconducting properties and hence may be used for further advances in the field of optical devices. In this thesis, we used density functional theory in conjunction with generalized gradient approximation for exchange correlation potential to investigate the structural, electronic and optical properties of AgxAs2-xS3 (x= 0-2), Ag0.25As2S3, Cu0.125As2S3 and Cu0.25As2S3 configurations. newline