Elastic and optical properties of BeS, BeSe and BeTe under pressure

R. Khenata , A. Bouhemadou , M. Hichour , H. Baltache , D. Rached , Michel Rérat (1)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux

We have performed the first principles full-potential linearized augmented plane wave calculations (FP-LAPW) with density functional theory in local density approximations (LDA), in aim to determine and to predict the pressure dependence of structural and optical properties of zinc-blende BeS, BeSe and BeTe compounds. The elastic constant, refractive index and its variation with hydrostatic pressure are well described. © 2006 Elsevier Ltd. All rights reserved.

Domaines: Chimie théorique et/ou physique

R. Khenata, A. Bouhemadou, M. Hichour, H. Baltache, D. Rached, et al.. Elastic and optical properties of BeS, BeSe and BeTe under pressure. Solid-State Electronics, 2006, 50 (7-8), pp.1382-1388. ⟨10.1016/j.sse.2006.06.019⟩. ⟨hal-01610591⟩