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Local vibrational modes of two neighboring substitutional carbon atoms in silicon
Institute of Physics and Astronomy, University of Århus, Århus, Denmark.
Institute of Physics and Astronomy, University of Århus, Århus, Denmark.
Institute of Chemistry, University of Århus, Århus, Denmark.
Department of Physics, University of Exeter, Exeter, United Kingdom.
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2000 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 62, no 1, p. 158-165Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
2000. Vol. 62, no 1, p. 158-165
National Category
Computational Mathematics
Research subject
Scientific Computing
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URN: urn:nbn:se:ltu:diva-4564DOI: 10.1103/PhysRevB.62.158ISI: 000088037000041Scopus ID: 2-s2.0-4243796089Local ID: 287a7360-1383-11dd-b7d2-000ea68e967bOAI: oai:DiVA.org:ltu-4564DiVA, id: diva2:977438
Note

Validerad; 2000; 20080426 (ysko)

Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2022-03-16Bibliographically approved

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Öberg, Sven

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