Abstract
A three-body-force shell model (TSM) has been employed for a comprehensive and unified calculation of the crystal mechanics of some alkali halides. This includes the description of phonon dispersion, two-phonon Raman and infrared spectra, specific heats, cohesive energy, relative stability, phase-transition pressure and volume, dielectric constants, quasi- harmonic elastic and photoelastic properties of lithium fluoride, potassiumchloride and rubidium chloride. These predictions are reasonably good and have led to the conclusion that TSM is an appropriate model for lattice mechanical descriptions of ionic crystals.
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