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First stage of oxygen aggregation in silicon: the oxygen dimer
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
University of Exeter.
University of Exeter.
Linköping University.
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1998 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 81, no 14, p. 2930-2933Article in journal (Refereed) Published
Abstract [en]

The structure and dynamic properties of the interstitial oxygen dimer in silicon are found using a combination of infrared spectroscopy and ab initio modeling. We find that the stable dimer consists of a pair of inequivalent weakly coupled interstitial oxygen atoms separated by a Si-Si bond. Two high frequency modes are decoupled in one 16O-18O combination but are strongly mixed in the other combination. A third lower lying mode involves the compression of the Si-Si bond joining the oxygen atoms and gives distinct modes in the mixed 16O-18O case.

Place, publisher, year, edition, pages
1998. Vol. 81, no 14, p. 2930-2933
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-11318DOI: 10.1103/PhysRevLett.81.2930ISI: 000076231900024Local ID: a41b6910-1389-11dd-b7d2-000ea68e967bOAI: oai:DiVA.org:ltu-11318DiVA, id: diva2:984268
Note
Godkänd; 1998; 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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