A molecular dynamics determination of the structure of liquid cadmium telluride

The characteristics of the structure of molten cadmium telluride were calcu lated by the method of molecular dynamics with the use of a Stillinger-Webe r-type potential. The potential parameters adopted in Monte Carlo calculati ons of the structure of cadmium telluride were used. The molecular dynamics calculations were performed for an NVT ensemble at 1373 K; the base cube w ith periodic boundary conditions contained 512 particles. The results were compared with the neutron diffraction data. The Stillinger-Weber potential was shown to give an insufficiently accurate description of interparticle i nteractions in cadmium telluride melts. Its reparametrization was required to improve agreement with experiment.