Monte Carlo and Molecular Dynamics Simulations of High Temperature Implants: Effects on Defect Diffusion and Amorphization in Silicon

Atomistic simulations are used to study of the effects of implant temperature on defect evolution, amorphization, and dopant diffusion in Si. Molecular dynamics simulations are used at very high temperatures, where the high mobility of the defects is sufficient to observe defect migration and recrystallization of damaged regions. For the Monte Carlo approach, we use a binary collision code, MARLOWE, to generate the implantation cascades. The coordinates of all interstitials and vacancies are transferred to a Monte Carlo diffusion code, DADOS, to simulate the annealing of the damage. Amorphous regions are simulated using as aggregates of point defects, with Frenkel-pair recombination rates reduced in regions of high point defect density.