Atomistic simulations of amorphization processes in ion-implanted Si: Roles of defects during amorphization, relaxation, and crystallization

Atom dynamics studies on amorphization processes in Si are reviewed and roles of defects in amorphization, relaxation, and crystallization of Si are discussed. Molecular dynamics and Monte Carlo simulations have successfully been applied to generate atomic configurations in amorphous Si by rapid quenching of melted Si or by modelling ion implantation in Si. In the latter case, ion-beam-induced divacancies and di-interstitials are accumulated in crystalline Si which results in amorphization. A possible scheme of defects dynamics in relaxation and crystallization of amorphous Si is also proposed.