A Monte Carlo method for calculating the correlation factor for impurity diffusion was described. Specific application was made to impurity diffusion via the vacancy mechanism in the face-centered-cubic lattice. Following the 'five-frequency' model of Manning, it was assumed that vacancy jumps not involving nearest neighbors of the impurity were unaffected by the impurity, but impurity/vacancy associative and dissociative jumps, which did involve nearest neighbors of the impurity, were affected. Computer simulated results for the impurity correlation factor were in excellent agreement with the analytical equation derived by Manning.

Computer Simulation of the Correlation Factor for Impurity Diffusion. G.E.Murch, R.J.Thorn: Philosophical Magazine A, 1978, 38[2], 125-30