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Local vibrational m...
Local vibrational modes of two neighboring substitutional carbon atoms in silicon
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- Lavrov, E. V. (författare)
- Institute of Physics and Astronomy, University of Århus, Århus, Denmark
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- Bech Nielsen, B. (författare)
- Institute of Physics and Astronomy, University of Århus, Århus, Denmark
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- Byberg, J. R. (författare)
- Institute of Chemistry, University of Århus, Århus, Denmark
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- Hourahine, B. (författare)
- Department of Physics, University of Exeter, Exeter, United Kingdom
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- Jones, R. (författare)
- Department of Physics, University of Exeter, Exeter, United Kingdom
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- Öberg, Sven (författare)
- Luleå tekniska universitet,Matematiska vetenskaper
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- Briddon, P. R. (författare)
- Department of Physics, The University of Newcastle upon Tyne, Newcastle upon Tyne, United Kingdom
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(creator_code:org_t)
- 2000
- 2000
- Engelska.
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 62:1, s. 158-165
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Infrared absorption measurements on n-type silicon doped with carbon and irradiated with electrons at room temperature have revealed new absorption lines at 527.4 and 748.7 cm-1, which originate from the same defect. The 748.7-cm-1 line is observed only when the sample is cooled in the dark and the spectrum is measured through a low-pass filter with cutoff frequency below 6000 cm-1. Light with frequency above 6000 cm-1 removes this line and generates the 527.4-cm-1 line. Comparison with spectra recorded on irradiated silicon doped with 13C shows that the two lines represent local vibrational modes of carbon. The annealing behavior of the 748.7-cm-1 line is identical to that of the EPR signal originating from the negative charge state of two adjacent substitutional carbon atoms (Cs-Cs)-. The 527.4- and 748.7-cm-1 lines are ascribed to the E modes of Cs-Cs in the neutral and negative charge states, respectively. The structure and local vibrational modes of (Cs-Cs)0 and (Cs-Cs)- have been calculated by ab initio local density functional theory. The calculated structures agree qualitatively with those obtained previously by Hartree-Fock methods, but the calculated Si-C and C-C bond lengths differ somewhat. The calculated local mode frequencies are in good agreement with those observed. The formation of Cs-Cs has also been investigated. It is suggested that the center is formed when a vacancy is trapped by the metastable substitutional carbon-interstitial carbon center, Cs-Ci.
Ämnesord
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Nyckelord
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
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