Multiscale modeling of radiation damage and annealing in Si

The fabrication of small Si devices brings up complex physical mechanisms, whose modeling requires a multiscale approach. We illustrate the case of ion implantation and annealing in Si. Ab initio calculations and molecular dynamics simulations provide defect energetics and the physical basis for defect formation and annihilation mechanisms. Binary-collision approximation for ion implantation combined with kinetic Monte Carlo simulation for annealing is used to define the range of validity of some approximations used in continuum models.