A Monte Carlo study was made of the diffusion mechanism of boron in silicon. The kick-out mechanism was examined for the case of a delta function impurity profile under both inert and oxidation conditions. It was shown that the initial conditions played a significant role in obtaining the mean migration path-lengths of the atoms. The kick-out mechanism in the case of an initial delta function interstitial impurity profile was examined analytically. The atomic-level computational experiments validated the results of Cowern on so-called intermittent diffusion of boron, and yielded values for the pre-factor and for the mean migration path length, which was found to lie between 0.024 and 0.035nm.

A Monte Carlo Study of the Kickout Mechanism of Boron Diffusion in Silicon. M.M.De Souza, G.A.J.Amaratunga: Journal of Applied Physics, 1996, 79[5], 2418-25