Modeling of ion implantation and diffusion in Si

Classical molecular dynamics simulations are used to study damage produced during implantation of semiconductors with different ion masses and energies between 1-25 keV. The time scale for these simulations is only on the order of ns, and therefore problems like transient enhanced diffusion of dopants or formation of extended defects can not be studied with these models. Monte Carlo simulations, including as input the results obtained from molecular dynamics calculations, are used to extend the simulation time, and in particular, to study processes like ion implantation and defects diffusion in semiconductors. As an example, we show results for diffusion of the damage produced by implantation of Si with 5 keV Xe ions at low doses. Results of the simulations are compared with experiments in order to validate the model