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Molecular-dynamics study of the structural, elastic and thermodynamic properties of cadmium telluride
Journal article   Peer reviewed

Molecular-dynamics study of the structural, elastic and thermodynamic properties of cadmium telluride

M.B. Kanoun, W. Sekkal, H. Aourag and G. Merad
Physics letters. A, Vol.272(1), pp.113-118
17/07/2000

Abstract

In this work, structural, elastic and thermodynamic properties of cubic cadmium telluride (c-CdTe) have been investigated by molecular-dynamics (MD) simulation using the well-tested Tersoff potential under pressure and by varying temperature. Fundamental bulk properties, elastic constants, thermal expansion coefficient, heat capacity and Grüneisen parameter have been studied. The structural properties in the rock-salt structure are also studied and compared with other works.

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