THEORETICAL INVESTIGATION OF THE ELASTIC PROPERTIES AND LATTICE DYNAMICS OF THE MgSxSe1-x ALLOY-Reference-Cited by-同舟云学术

THEORETICAL INVESTIGATION OF THE ELASTIC PROPERTIES AND LATTICE DYNAMICS OF THE MgSxSe1-x ALLOY

Published:2007-02-20 Issue:05 Volume:21 Page:249-259
ISSN:0217-9849
Container-title:Modern Physics Letters B
language:en
Short-container-title:Mod. Phys. Lett. B

Author:

BOUAMAMA K.¹,DJEMIA P.²

Affiliation:

1. Laboratoire d'Optélectronique et Composant, Département de Physique, Université Ferhat Abbas, Sétif 19000, Algeria

2. Laboratoire des Propriétés Mécaniques et Thermodynamiques des Matériaux, UPR CNRS 9001, Université Paris-Nord, Avenue J.-B. Clément, 93430 Villetaneuse, France

Abstract

Structural and elastic properties as well as lattice dynamics of ternary MgS x Se 1-x alloy have been studied using first-principles calculations. These are done using density functional theory (DFT) and density functional perturbation theory (DFPT) within the local density approximation (LDA) and employing the virtual-crystal approximation (VCA). We found that the lattice parameter, the elastic constants and the phonon frequencies follow a quadratic law in x.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217984907012621

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