A comprehensive atomistic model for As in Si which includes charge effects and was consistent with first-principles calculations for As-vacancy cluster energies was developed. Emphasis was put in reproducing the electrical deactivation and the annealed profiles in pre-amorphized Si. The simulations performed with an atomistic kinetic Monte Carlo simulator suggested a predominant role of the mobile interstitial As in deactivation experiments and provide a good understanding of the As behavior in pre-amorphized Si during annealing.

Modeling Arsenic Deactivation through Arsenic-Vacancy Clusters using an Atomistic Kinetic Monte Carlo Approach. R.Pinacho, M.Jaraiz, P.Castrillo, I.Martin-Bragado, J.E.Rubio, J.Barbolla: Applied Physics Letters, 2005, 86[25], 252103 (3pp)