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Anomalous shift of ...
Anomalous shift of the 1075 cm-1 oxygen-hydrogen defect in silicon
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- Hourahine, B. (författare)
- Department of Physics, University of Exeter, Devon, England
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- Jones, R. (författare)
- Department of Physics, University of Exeter
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- Öberg, Sven (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
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- Briddon, Patrick R. (författare)
- Newcastle Univ, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England
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(creator_code:org_t)
- Trans Tech Publications Inc. 1997
- 1997
- Engelska.
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Ingår i: Defects in semiconductors, ICDS-19. - : Trans Tech Publications Inc.. ; , s. 277-282
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.4...
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Abstract
Ämnesord
Stäng
- First principles calculations are carried out on i) hydrogen and ii) water molecules trapped near an interstitial oxygen atom in Si. We find that it is possible for these molecules to cause an upward shift in the antisymmetric stretch mode of Oi when H is replaced by D, which could explain the anomalous shift in the 1075 cm-1 O-H related local vibrational mode. Both these molecules lead to modes in the 3500-4000 cm-1 region but those of the H2 lie close to those recently detected using Fourier transform infra-red spectroscopy.
Ämnesord
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- Ab Initio Theory
- Hydrogen Molecules
- Oxygen
- Silicon
- Water Molecule
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
Publikations- och innehållstyp
- ref (ämneskategori)
- kon (ämneskategori)