Atomistic Modeling of the Effects of Dose and Implant Temperature on Dopant Diffusion and Amorphization in Si

We discuss atomistic simulations of ion implantation and annealing of Si over a wide range of ion dose and substrate temperatures. The DADOS Monte Carlo model has been extended to include the formation of amorphous regions, and this allows simulations of dopant diffusion at high doses. As the dose of ions increases, the amorphous regions formed by cascades eventually overlap, and a continuous amorphous layer is formed. In that case, most of the excess interstitials generated by the implantation are swept to the surface as the amorphous layer regrows, and do not diffuse in the crystalline region. This model also reproduces the dynamic annealing during high temperature implants. In this case, the local amorphous regions regrow as the implant proceeds, without the formation of a continuous amorphous layer. For sufficiently high temperatures, each cascade is annealed out independently; interstitials and vacancies can escape from the cascade and thus increase dopant diffusion.