Do arsenic interstitials really exist in As-rich GaAs?

A self-consistent-charge density-functional based tight binding method was used to investigate the lattice distortion caused by point defects. This method is capable of treating large supercells with 512 atoms and allowed the comparison to study defect concentrations. The results showed that the incorporation of As antisites led to expansive lattice distortion. The displacement of the As lattice atoms neighboring the antisite was observed as a result of increase in As-As bonding.Peer reviewe