Phonon spectrum and thermal properties of mixed semiconducting compound ZnS1−xSex

Abstract

Phonon spectrum and thermal properties of mixed semiconducting compound ZnS_1-xSe_x have been calculated by using a proposed three-body shell model (TBSM). This model incorporates the effect of three-body and short-range repulsive forces including second nearest neighbours, in addition to long-range Coulombic interactions in the frame work of rigid-shell model with both the ions polarizable. Using the above proposed model, the phonon dispersion relations, phonon density of states and Debye characteristic temperature have been calculated and plotted for the compound ZnS_1-xSe_x. The comparison of the theoretical results with the available experimental has been made along high symmetry directions. An overall good agreement between theoretical and experimental results has been found.