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Lookup NU author(s): Dr Jose Coutinho, Richard Jones, Professor Patrick Briddon
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The local vibrational modes arising from single interstitial hydrogen centres in Si, Si-rich SiGe, Ge-rich SiGe, and Ge crystals are modelled by an ab initio supercell method. The stress response of the 1998 and 1794 cm -1 bands that appear in proton-implanted Si and Ge samples is well reproduced, further confirming their assignment to bond-centred H+ defects. It is shown that H- in Ge is anti-bonded to a Ge atom, and is likely to be considerably less mobile than in Si. Although H+ is not trapped by the minority species in both Si-rich and Ge-rich alloys, we find that H- can be stabilized by forming anti-bonded H-Si structures. © 2005 IOP Publishing Ltd.
Author(s): Balsas A, Torres VJB, Coutinho J, Jones R, Hourahine B, Briddon PR, Barroso M
Publication type: Article
Publication status: Published
Journal: Journal of Physics Condensed Matter
Year: 2005
Volume: 17
Issue: 22
Pages: S2155-S2164
ISSN (print): 0953-8984
ISSN (electronic): 1361-648X
Publisher: Institute of Physics Publishing Ltd.
URL: http://dx.doi.org/10.1088/0953-8984/17/22/002
DOI: 10.1088/0953-8984/17/22/002
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