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 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}.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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