A methodology of impurity diffusion in semiconductors by the Monte Carlo method was presented. The simulation was carried out by repeating the motion of both vacancies and self-interstitials with the complementary weighting factor for the jumps of respective point defects. This method was applied to impurity diffusion from a limited source in a virtual semiconductor crystal and its validity was confirmed.

Computer Simulation of Impurity Diffusion in Semiconductors by the Monte Carlo Method. A.Akiyama, T.Hosoi, I.Ishihara, S.Matsumoto, T.Niimi: IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems, 1987, 6[2], 185-9