Anharmonic Properties of Alkali Halides and Cyanides
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Anharmonic properties of 16 alkali halides and 4 alkali cyanides are investigated using long-range Coulomb and short-range Born-Mayer potentials starting from the nearest-neighbour distance and repulsive parameter. This study includes the prediction of second, third and fourth order elastic constants, the pressure derivatives of second and third order elastic constants and partial contractions at elevated temperatures. The results obtained in present investigations are in reasonable agreement compared with experimental studies.
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