Recent studies had shown evidence of self-interstitial aggregation in ion-implanted Si, resulting in nanoscopic damage structures. Similarly, self-interstitial atoms were expected to play an important role for defect clustering in ion-implanted GaAs. Results were reported for stable neutral di-interstitial complex configurations composed of both As and Ga atoms, as explored by using first-principles total-energy calculations based upon density-functional theory.

Properties of Intrinsic Di-Interstitials in GaAs. G.Zollo, Y.J.Lee, R.M.Nieminen: Journal of Physics - Condensed Matter, 2004, 16[49], 8991-9000