Abstract
Recent studies have shown evidence for the aggregation of self-interstitials inion-implanted Si, resulting in nanoscopic damage structures. Similarly,self-interstitial atoms are expected to play an important role for defect clusteringin ion-implanted GaAs. Accurate first-principles total-energy calculations arereported for different As and Ga self-interstitial configurations. These results areused to study by first-principles total-energy calculations the structural andelectronic properties of small complexes involving self-interstitials and/orantisites.
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