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Abstract We present a result of the molecular dynamics calculations with used a three-body empirical Tersoff potential. The parameters of the Tersoff potential are determined for nitride compound semiconductors such as GaN, AlN and InN. The structural and thermodynamic properties of GaN, AlN and InN in zinc-blende structure are presented. We report the equilibrium lattice constants, the bulk moduli, the cubic clastic constants, thermal expansion coefficient and specific heat. Good agreement is obtained with recent experimental and theoretical results for all constants.
Benkabou et al. (Wed,) studied this question.