Adam Gali et al 1996 J. Phys.: Condens. Matter 8 7711 doi:10.1088/0953-8984/8/41/016
Theoretical studies on nitrogen - oxygen complexes in silicon
Adam Gali
, József Miro, Peter Deák, Chris P Ewels
and Robert Jones
Semi-empirical PM3 cluster calculations are used to show that stable, electrically active NO complexes may exist in silicon. Based on their relative stability with respect to oxygen and nitrogen pairs, the retardation of thermal double donor formation in the presence of nitrogen is explained, but an equilibrium concentration much less than that of NN pairs is predicted. It is also shown that interaction of NO with a single nitrogen atom creates a bistable NNO defect, while encounter with an oxygen or an NN pair preserves the electrical activity of the NO centre. The possible role of the NO complex in shallow thermal donor formation is discussed.
- PACS
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61.50.Ah Theory of crystal structure, crystal symmetry; calculations and modeling
- Subjects
- Dates
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Issue 41 (7 October 1996)
Received 30 May 1996
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Theoretical studies on nitrogen - oxygen complexes in silicon
Adam Gali et al 1996 J. Phys.: Condens. Matter 8 7711
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