Self-diffusion coefficients in liquid silicon in the vicinity (1728 to 2373K) of the melting point were calculated using the Stillinger-Weber interparticle interaction potential. The temperature dependence of the self-diffusion coefficient was found to deviate from the Arrhenius equation in the low-temperature region. The deviation was treated as a post-melting effect. In addition, various modifications of the Stillinger-Weber potential used in simulations of the structure of liquid silicon were analyzed. The original form of the potential was found to be more useful for solving the problem.

A Molecular Dynamics Calculation of the Temperature Dependence of the Self-Diffusion Coefficient in Liquid Silicon. Glazov, V.M., Pavlova, L.M., Rezontov, K.V.: Russian Journal of Physical Chemistry A, 1997, 71[5], 738-41