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Local vibrational modes of two neighboring substitutional carbon atoms in silicon
University of Aarhus.
University of Aarhus.
University of Aarhus.
University of Exeter.
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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
Identifiers
URN: urn:nbn:se:ltu:diva-4564DOI: 10.1103/PhysRevB.62.158ISI: 000088037000041Local 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: 2018-07-10Bibliographically approved

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Öberg, Sven

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