First principles local-density-functional (LDF) theory is employed to inves
tigate the properties of di-interstitial (I-2), tri-interstitial (I-3) and
tetra-interstitial (I-4) structures in silicon. We show that a tri-intersti
tial defect can account for many of the fundamental properties of the I-1/W
-optical centre which is observed in irradiated, annealed silicon. (C) 1999
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