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Interstitial hydrog...
Interstitial hydrogen and the dissociation of C-H defects in GaAs
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- Breuer, S.J. (author)
- University of Exeter
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- Jones, R. (author)
- University of Exeter
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- Öberg, Sven (author)
- Luleå tekniska universitet,Matematiska vetenskaper
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- Briddon, P.R. (author)
- University of Newcastle Upon Tyne
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(creator_code:org_t)
- 1995-11
- 1995
- English.
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In: Proceedings of the 18th International Conference on Defects in Semiconductors. - : Trans Tech Publications Inc.. ; , s. 951-956
- Related links:
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http://www.scientifi...
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https://urn.kb.se/re...
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https://doi.org/10.4...
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Abstract
Subject headings
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- Local-density-functional calculations using a real-space cluster approach are used to model interstitial hydrogen in GaAs and the dissociation of the C-H and C-H- complexes. The equilibrium site is found to be on a Ga-As bond axis for H0 and H$+$/ and at a Ga anti-bonding site for H-. It is also shown that a H2 molecule is stable in interstitial space and has a lower energy than the two possible H2* defects and than widely separated single interstitial hydrogen atoms. The study of hydrogen in pure GaAs also yields the result that interstitial hydrogen is a negative-U defect. It is found that the energy barrier to the dissociation of the C-H complex is 1.8 eV, but that this is reduced to 0.9 eV for C-H-. Comparison is made with recent experimental results and implications for current containing devices are discussed.
Subject headings
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Keyword
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
Publication and Content Type
- ref (subject category)
- kon (subject category)
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