STRINGLIKE CHEMISORPTION AND RAPID DISSOCIATION OF AS4 AND SB4 ON SI(100)

Dodson-type potentials have been constructed for As-As, Si-As, Sb-Sb, and Si-Sb interactions. The parameters were determined by fitting to the energies obtained in first-principles calculations for As-Si and Sb-Si clusters with a variety of geometries. These potentials have been applied in molecular dynamics simulations of As4 and Sb4 chemisorbing on Si(100) at high temperature (900K). We find that both molecules tend to chemisorb in string like configurations, and that dissociation into two dimers can occur within only a few picoseconds.

STRINGLIKE CHEMISORPTION AND RAPID DISSOCIATION OF AS4 AND SB4 ON SI(100) Conference Paper