A kinetic Monte Carlo model was used to simulate the implantation (0.5 to 1keV, 1015/cm2) of boron. The damage produced by each ion was calculated on the basis of a binary collision approximation. During implantation at room temperature, silicon self-interstitials, vacancies and boron interstitials were allowed to migrate and interact. The diffusion kinetics of these defects and dopants was obtained by ab initio calculations as well as Stillinger-Weber molecular dynamics. Clustering of self-interstitials, vacancies and boron atoms was included. The diffusion of the implanted dopants following high-temperature annealing was modeled in order to understand transient enhanced diffusion. Two different stages of such diffusion were observed. During the first stage, vacancies were present in the lattice together with interstitials and the diffusion enhancement was small. The second stage began when all of the vacancies had disappeared and gave rise to most of the final transient enhanced diffusion.

Monte Carlo Simulation of Boron Diffusion during Low Energy Implantation and High Temperature Annealing. M.J.Caturla, T.Diaz de la Rubia, J.Zhu, M.Johnson: Materials Research Society Symposium – Proceedings, 1997, 469, 335-40