The structural, electronic and optical properties of cubic CdS1-xTex alloys, with Te-concentrations varying from 0% up to 100% are investigated. The calculations are based on the total-energy calculations using the full potential-linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA) for the total-energy calculations, while for electronic properties in addition to that the Engel-Vosko (EV-GGA) formalism was also applied. The ground state properties for all Te-concentrations are presented. The optical dielectric constant is also determined for both the binary and their related ternary alloys. © 2010 Elsevier Ltd.

Shahab Ahmad

Department of Physics

IIT Jodhpur

Y. Al-Douri

A.H. Reshak

H. Baaziz

Z. Charifi

R. Khenata

U. Hashim

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Solar Energy

An ab initio study of the electronic structure and optical properties of CdS1-xTex alloys

Journal	Solar Energy
ISSN	0038092X