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Self-interstitial-hydrogen complexes in silicon

Lookup NU author(s): Professor Patrick Briddon

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Abstract

The vibrational properties of interstitial silane (SiH4)i and silyl (SiH3)i molecules in crystalline silicon are calculated using a first-principle, cluster-based, spin-polarized local-density method. The Si-H stretch modes are found to be redshifted by ∼300 cm-1 from those of the isolated molecule, which lie around 2200 cm-1. These results refute recent suggestions that modes observed around 2200 cm-1, and previously assigned to hydrogenated vacancy defects, are due to these interstitial molecules.


Publication metadata

Author(s): Hourahine B, Jones R, Oberg S, Briddon PR

Publication type: Article

Publication status: Published

Journal: Physical Review B - Condensed Matter and Materials Physics

Year: 1999

Volume: 59

Issue: 24

Pages: 15729-15732

Print publication date: 01/01/1999

ISSN (print): 1098-0121

ISSN (electronic): 1550-235X

Publisher: The American Physical Society

URL: http://dx.doi.org/10.1103/PhysRevB.59.15729

DOI: 10.1103/PhysRevB.59.15729


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