Modeling of ion implantation and diffusion in Si

Classical molecular dynamics simulations are used to study the damage produced during the implantation of semiconductors with different ion masses and energies between 1-25 keV. The time scale for these type of 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 silicon with 5 keV Xe ions at low doses. The results of the simulations are compared with experiments in order to validate the model.