Journal
SOLID-STATE ELECTRONICS
Volume 50, Issue 7-8, Pages 1382-1388Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.sse.2006.06.019
Keywords
FP-LAPW; LDA; elastic constants; optical constants; pressure effect
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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. (c) 2006 Elsevier Ltd. All rights reserved.
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