Phonon dispersion and dielectric behaviour of mixed alkali halide crystal NaCl0.5Br0.5

Abstract

In the present paper we have calculated the phonon dispersion curves and dielectric constants, their volume derivatives and the Gruneisen parameters of the mixed alkali halide NaCl_0.5Br_0.5, using the extended three body force shell model. The results of dielectric constants, their volume derivatives and Gruneisen parameters are found to agree reasonably well with the experimental values, which establishes the validity of the three body charge transfer parameter. With this concept the phonon dispersion curves are obtained in all the three symmetry directions (q,o,o), (q,q,o) and (q,q,q), which will be of interest for experimental workers, since no experimental values have so far been obtained for phonon frequencies.