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Planar interstitial aggregates in Si

J P Goss1,5, T A G Eberlein1, R Jones1, N Pinho1, A T Blumenau2, T Frauenheim2, P R Briddon3 and S Öberg4

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Self-interstitials in silicon aggregate to form rod-like defects aligned along [110] directions and inhabiting either {111} or {113} crystallographic planes. These systems are known to be electrically and optically active. We present the results of first-principles calculations on the structure and energetics for candidate structures contained within the {113}, {111} and {001} planes and compare the results with experiment.


PACS

61.72.J- Point defects and defect clusters

61.72.Lk Linear defects: dislocations, disclinations

61.66.Bi Elemental solids

61.72.Nn Stacking faults and other planar or extended defects

71.15.-m Methods of electronic structure calculations

78.20.Ek Optical activity

Subjects

Condensed matter: electrical, magnetic and optical

Condensed matter: structural, mechanical & thermal

Dates

Issue 48 (9 December 2002)

Received 27 September 2002

Published 22 November 2002



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