Randomization-and-relaxation model revisited

Abstract The interatomic potentials of Stillinger-Weber and Tersoff were incorporated into the randomization-and-relaxation model, which was originally developed for modelling amorphous silicon by using the Keating interatomic potential. The inclusion of more recent and more complicated interatomic potentials resulted in a more sophisticated set of bond switching rules which form the basis for the randomization-and-relaxation algorithm. This improved model was then used to model small isolated amorphous zones which are produced by individual heavy ions during ion implantation in silicon. The temperature evolution during zone creation was calculated by using idealized thermal spike model. The structure and stability of these amorphous zones was examined with respect to the energy of incoming ion and with respect to the interatomic potential employed. It was established that significantly lower spike energy is required to create a stable amorphous region than in the simulation where the Keating potential wa...