Theoretical studies on nitrogen-oxygen complexes in silicon

Adam Gali, József Miro, Peter Deák, Chris P. Ewels, Robert Jones

Research output: Contribution to journalArticle

30 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)7711-7722
Number of pages12
JournalJournal of Physics Condensed Matter
Issue number41
Publication statusPublished - Oct 7 1996

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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