Atomistic modeling of transient enhanced diffusion of In and end-of-range defects, using a kinetic Monte Carlo simulation technique, was described. All types of defect, including small point defect clusters, {311} defects, dislocation loops and voids were taken into account during the random walk of In. Neutral point defect-mediated In migration, which included both In-interstitial and In-vacancy pairs, was incorporated into the kinetic Monte Carlo diffusion simulator. Simulated In diffusion after a sub-amorphous implanted In dose (200keV, 1013/cm2) could be fully explained by In-interstitial pair migration with a reasonable activation energy. The Frank-Turnbull mechanism was not dominant. In the case of an amorphous implanted In dose (200keV, 1014/cm2), the kinetic Monte Carlo simulation revealed small {311} defects, in the initial stages of annealing, that nucleated dislocation loops. Atomistic kinetic Monte Carlo simulation also confirmed that it was mainly interstitial clusters, {311} defects and loops that played the most important roles in In diffusion above the amorphous implantation dose.

Modeling of Indium Diffusion and End-of-Range Defects in Silicon using a Kinetic Monte Carlo Simulation. T.Noda: Journal of Applied Physics, 2003, 94[10], 6396-400