Theoretical investigations were made, of the interaction of point defects (vacancies, self-interstitials) with an intrinsic stacking fault, by using ab initio total-energy calculations. Defects at the fault, and in the bulk crystal, exhibited differing behaviours. This was reflected by changes in the formation energy and electronic structure. The formation energies for the vacancy and the [110]-split interstitial were lower at the intrinsic stacking fault than in the crystal. This indicated that, under non-equilibrium conditions, intrinsic stacking faults could act - together with other extended defects - as a sink for point defects. It also indicated that, under equilibrium conditions, there could be a higher concentration of such defects at the fault than in the bulk.

Point Defect Interactions with Extended Defects in Semiconductors A.Antonelli, J.F.Justo, A.Fazzio: Physical Review B, 1999, 60[7], 4711-4