Abstract
Equilibrium properties of cubic boron nitride (c-BN) are investigated by using a molecular-dynamics simulation based on the Tersoff empirical interatomic potential. Elastic constants and thermodynamic properties of c-BN are also calculated. We find that the elastic modulus C 11 is smaller than the experimental data, while C 12 is somewhat large. The elastic modulus C 44 is in good agreement with the theoretical calculations and experiment. Thermal expansion coefficient and specific heat are also in agreement with experimental data.
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