Identification of the dominant nitrogen defect in silicon

The structure of the dominant N pair defect in Si is determined from channeling, infrared local vibrational mode spectroscopy, and ab initio local density functional theory. Channeling experiments show that the N atoms are displaced by 1.1±0.1 Å from lattice sites along 〈100〉. Annealing experiments...

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Veröffentlicht in:Physical review letters 1994-03, Vol.72 (12), p.1882-1885
Hauptverfasser: Jones, R, Öberg, S, Berg Rasmussen F, Bech Nielsen B
Format: Artikel
Sprache:eng
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Zusammenfassung:The structure of the dominant N pair defect in Si is determined from channeling, infrared local vibrational mode spectroscopy, and ab initio local density functional theory. Channeling experiments show that the N atoms are displaced by 1.1±0.1 Å from lattice sites along 〈100〉. Annealing experiments reveal that this N site is associated with two N-related local vibrational modes originating from the N pair. The ab initio calculations demonstrate that the pair consists of two neighboring 〈100〉 oriented N-Si split interstitials, arranged in an antiparallel configuration, and with four N-Si bonds forming a square lying on {011}.
ISSN:0031-9007
1079-7114
1079-7114
DOI:10.1103/physrevlett.72.1882