Table of Contents
International Journal of Metals
Volume 2014 (2014), Article ID 286393, 7 pages
http://dx.doi.org/10.1155/2014/286393
Research Article

Band Gap Engineering of Alloys

1Laboratory of Physical Chemistry of Advanced Materials, University of Djillali Liabes, BP 89, 22000 Sidi Bel Abbes, Algeria
2Physics Department, Science Faculty, University of Sidi Bel Abbes, 22000 Sidi Bel Abbes, Algeria

Received 13 August 2013; Revised 3 February 2014; Accepted 2 March 2014; Published 13 May 2014

Academic Editor: Velimir Radmilovic

Copyright © 2014 Djillali Bensaid et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

The structural and electronic properties of the ternary alloys have been calculated using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory within local density approximation (LDA). The calculated equilibrium lattice constants and bulk moduli are compared with previous results. The concentration dependence of the electronic band structure and the direct and indirect band gaps are investigated. Moreover, the refractive index and the optical dielectric constant for are studied. The thermodynamic stability of the alloys of interest is investigated by means of the miscibility. This is the first quantitative theoretical prediction to investigate the effective masses, optical and thermodynamic properties for alloy, and still awaits experimental.