A comprehensive atomistic model for arsenic in silicon which included charge effects and was consistent with first-principles calculations for arsenic-vacancy cluster energies was developed. Emphasis was placed on reproducing the electrical deactivation and the annealed profiles in pre-amorphized silicon. The simulations performed with an atomistic kinetic Monte Carlo simulator suggested a predominant role of the mobile interstitial arsenic in deactivation experiments and provided a good understanding of the arsenic behavior in pre-amorphized silicon 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