Исследование статики и динамики решетки хлористого калия

Abstract

A really consistent and comprehensive approach has been adopted to derive the framework of a three-body force shell model (TSM) which is capable to explain successfully the lattice statics and dynamics of ionic crystals. The model contains eleven parameters which have been determined from those physical constants whose prediction is not intended for. The application of this model to the case of potassium chloride crystal has reproduced fairly well the phonon dispersion, two-phonon Raman and infra-red spectra, cohesive energy, relative stability, phase transition pressure and volume, photoelastic constants and anharmonic elastic constants. The successful description of this series of various properties with the same set of model parameters may be considered as a remarkable feature of TSM. It may also be pointed out that the original TSM developed by Singh and Verma was formulated only to explain the lattice dynamics of ionic crystals.