Atomistic modeling of deactivation and reactivation mechanisms in high-concentration boron profiles

We use kinetic nonlattice Monte Carlo atomistic simulations to investigate the physical mechanisms for boron cluster formation and dissolution at very high B concentrations, and the role of Si interstitials in these processes. For this purpose, high-dose, low-energy B implants and theoretical structures with fully active box shaped B profiles were analyzed. Along with the theoretical B profile, different Si interstitial profiles were included. These structures could be simplifications of the situation resulting from the regrowth of preamorphized or laser annealed B implants. While for B concentrations lower than 1020 cm−3, B clusters are not formed unless a high Si interstitial concentration overlaps the B profile, our simulation results show that for higher B concentrations, B clusters can be formed even in the presence of only the equilibrium Si interstitial concentration. The existence of a residual concentration of Si interstitials along with the B boxes makes the deactivation faster and more severe.