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Vibrational modes and electronic properties of nitrogen defects in silicon

Lookup NU author(s): Professor Jon Goss, Professor Patrick Briddon

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Abstract

Nitrogen impurities form complexes with native defects such as vacancies and self-interstitials in silicon which are stable to high temperatures. These complexes can then suppress the formation of large vacancy and self-interstitial clusters. However, there is little known about their properties. We use first-principles densityfunctional theory to the determine the local vibrational modes, electrical levels and stability of a range of nitrogen-interstitial and vacancy complexes. Tentative assignments of the A B C photoluminescenee line and the trigonal SL6 EPR center are made to substitutional-nitrogen pair and the substitutional-nitrogen-vacancy complex.

Publication metadata

Author(s): Goss JP, Hahn I, Jones R, Briddon PR, Oberg S

Publication type: Article

Publication status: Published

Journal: Physical Review B: Condensed Matter and Materials Physics

Year: 2003

Volume: 67

Issue: 4

Pages: 452061-4520611

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.67.045206

DOI: 10.1103/PhysRevB.67.045206

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