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Multiple charge states of substitutional oxygen in gallium arsenide
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
1992 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 69, no 1, p. 136-139Article in journal (Refereed) Published
Abstract [en]

A local-density-functional cluster method is used to calculate the structure and vibrational modes of substitutional oxygen, OAs, in gallium arsenide. We find the defect can exist in a surprisingly large number of five charge states: On- with n=-1, 0, 1, 2, and 3. The structures of the first two of these are very different from the last three. Their calculated modes are in fair agreement with observations on O in GaP and GaAs. The first pair of defects have a midgap level, and the third has an empty upper-gap level which can become occupied in photoillumination experiments. The consequent structural change causes a lowering in vibrational mode frequency as is observed.

Place, publisher, year, edition, pages
1992. Vol. 69, no 1, p. 136-139
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-12907DOI: 10.1103/PhysRevLett.69.136ISI: A1992JC22100035Scopus ID: 2-s2.0-3743143259Local ID: c0dfdaa0-1abd-11dd-8c59-000ea68e967bOAI: oai:DiVA.org:ltu-12907DiVA, id: diva2:985858
Note
Godkänd; 1992; 20080505 (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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