Structure and electronic properties of nitrogen defects in silicon

R Jones, I Hahn, JP Goss, PR Briddon and S Öberg
Solid State Phenomena

Nitrogen-vacancy defects in Si are of interest due to their ability to suppress the formation of large vacancy clusters during growth but there are problems in their characterisation. We use local density functional theory to determine the local vibrational modes, electrical levels and staility of a number of nitrogen defects. A prominant nitrogen local vibrational mode at 633 cm−1 is attributed to a nitrogen-vacancy centre and tentative assignments of the ABC photoluminescence line and the triginal SL6 EPR centre are made.

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