Elastic Constants and Pressure Derivatives of Calcium Oxide

Abstract

The electrostatic and B&oumlrn-Mayer repulsive potentials method was used to calculate the higher order elastic constants and pressure derivatives of alkaline-earth oxide CaO in a wide temperature range (100 - 1000 K). The calculations have been made starting from primary physical parameters viz. nearest-neighbour distance and hardness parameter assuming long- and short-range potentials. The different results of the calculations are compared with experimental data and discussed.