Magic number vacancy aggregates in Si and GaAs – structure and positron lifetime studies

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 magi...

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Bibliographic Details
Published inPhysica. B, Condensed matter Vol. 273-274; pp. 501 - 504
Main Authors Staab, T.E.M., Haugk, M., Sieck, A., Frauenheim, Th, Leipner, H.S.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.12.1999
Subjects
Deformation
Irradiation
Magic number vacancy clusters
Positron annihilation spectroscopy
Irradiation
Deformation
Positron annihilation spectroscopy
Magic number vacancy clusters
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Summary: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.
ISSN:0921-4526
1873-2135
DOI:10.1016/S0921-4526(99)00537-2