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Interdisziplinäres Zentrum für Materialwissenschaften
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T. E. M. Staab, M. Haugk, A. Sieck, T. Frauenheim, H. S. Leipner
Magic number vacancy aggregates in Si and GaAs - structure and positron lifetime studies
Physica B 273-274 (1999), 501-504

We investigate structural properties of large vacancy agglomerates in Si and GaAs using a self-consistent-charge density-functional based tight-binding method. We also calculated the defect-related positron lifetimes. Strong evidence is found for the existence of vacancy aggregates with unusual magic numbers in GaAs. In contrast to Si - the first stable agglomerate consists 12 vacancies instead of 6. This findings fit into experimental observations on deformed and irradiated samples.

Keywords: Positron annihilation spectroscopy; Magic number vacancy clusters; Deformation; Irradiation
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