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.

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Local density functional calculations on the isolated silicon interstitial, I 1 and its aggregates, I 2 , I 3 and I 4 have been performed. Several geometries are considered for each aggregate and we report preliminary results on their energetically favourable structures. The properties of the low energy structures are calculated and compared with experiment.