Theoretical estimation of diffusion coefficients of impurities in silicon melt

Abstract

The values of self-diffusion coefficient of pure silicon melt and impurity diffusion coefficients of O, Al, B and P in silicon melt have been calculated on the basis of the Enskog theory implemented with a pair-correlation function at contact between dissimilar atoms. The activation energies for diffusion were also estimated by taking into account the temperature dependence of packing fraction of the host silicon melt. Although only limited experimental data are available for comparison, the present theoretical approach appears to work well and to be useful for predicting diffusion coefficients of impurities in silicon melts.