Crystal dynamics of zinc chalcogenides III: an application to ZnTe

Abstract

We report the results of a theoretical study on phonon dispersion curves (PDCs) along the three principalsymmetry directions, Debye temperature variation, combined density of states (CDS) curves, two-phonon Raman/IRpeaks, and anharmonic elastic properties (third order elastic constants and their pressure derivatives) of ZnTe. Thisnew van der Waals three-body force rigid shell model (VTRSM) incorporates the effect of van der Waals interactionsand three-body interactions into the rigid shell model of zinc blende structure, where the short range interactions areoperative up to the second neighbors. Our results are in good agreement with the available measured data for zinctelluride. It is concluded that this VTRSM will be equally applicable to study the above properties of other zinc blendestructure solids.