Lattice dynamical calculations for bcc caesium chloride

Abstract

We present a lattice dynamical calculation of Caesium Chloride (CsCl) whose atoms form a bcc lattice having one type of atom at the cube centre and the other type on the corners of the cube. Dispersion curves, density of state, and lattice specific heat of bcc Caesium Chloride were computed. The code used in the computation of the densities of state and dispersion curves was obtained from the Boardman Physics program book which we modified to obtain dispersion relation in the principal symmetry directions. In general, the obtained results agree reasonably well with the experimental data of the bcc Caesium Chloride.

Keywords: Bcc caesium chloride; Lattice dynamics; Phonon dispersion; Density of state; Specific heat