Diffusion and clustering of lattice vacancies in silicon as a function of temperature, concentration, and interaction range were investigated by kinetic lattice Monte Carlo simulation. It was found that higher temperatures led to larger clusters with shorter lifetimes on average, which grew by attracting free vacancies, while clusters at lower temperatures grew by the aggregation of smaller clusters. Long interaction ranges produced enhanced diffusivity and fewer clusters. Larger vacancy concentrations led to more clusters, with fewer free vacancies, but the size of the clusters was largely independent of concentration. Vacancy diffusivity was shown to exhibit power-law behavior over time, and the exponent of this law was shown to increase with concentration, at fixed temperature, and decrease with temperature, at a fixed concentration.

Vacancy Clustering and Diffusion in Silicon: Kinetic Lattice Monte Carlo Simulations. B.P.Haley, K.M.Beardmore, N.Grønbech-Jensen: Physical Review B, 2006, 74[4], 045217