An atomistic model was proposed in order to describe damage generation during ion bombardment of Si, and its evolution during annealing. New features were incorporated into the classical models which were used to describe damage in crystalline Si. This permitted the extension of the atomistic approach to the modeling of continuous amorphous layers. The elementary units used to describe the defective lattice were Si interstitials, vacancies and the bond defect; which was a local distortion of the lattice, without any excess or deficit of atoms. More complex defect structures could be formed by the coalescence of these elementary units. The competition between the damage generation and its annihilation determines the damage accumulation that eventually may lead to amorphous layers. The same model was used for amorphizing and non-amorphizing implants, and the amorphization was the result of the simulation itself and not established as an input parameter.

Monte Carlo Modeling of Amorphization Resulting from Ion Implantation in Si. L.Pelaz, L.A.Marqués, M.Aboy, G.Gilmer, L.A.Bailón, J.Barbolla: Computational Materials Science, 2003, 27[1-2], 1-5