Pressure dependent elastic properties of diluted magnetic semiconductors: Hg 1− xMn xS ( x=0.02 and 0.07)

Abstract

A theoretical study of the elastic properties in diluted magnetic semiconductors Hg 1− x Mn x S ( x=0.02 and 0.07) using an effective interionic interaction potential (EIoIP) in which long-range Coulomb interactions, charge transfer mechanism (three body interaction) and the Hafemeister and Flygare type short-range overlap repulsion extending up to the second neighbor ions and the van der Waals (vdW) interaction is considered. Particular attention is devoted to evaluate Poisson's ratio ν, the ratio R S/ B of S (Voigt averaged shear modulus ) over B (bulk modulus), elastic anisotropy parameter, elastic wave velocity, average wave velocity and thermodynamic property as Debye temperature is calculated. By analyzing Poisson's ratio ν and the ratio R S/ B we conclude that Hg 1− x Mn x S is brittle in zinc blende (B3). To our knowledge this is the first quantitative theoretical prediction of the pressure dependence of ductile (brittle) nature of Hg 1− x Mn x S compounds and still awaits experimental confirmations.