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Theory of carbon complexes in aluminum arsenide
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
1994 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 49, no 8, p. 5306-5312Article in journal (Refereed) Published
Abstract [en]

The structural and dynamic properties of carbon defects in aluminum arsenide are investigated using first-principles local-density-functional cluster theory. The method accounts satisfactorily for the structure and phonon modes of AlAs. The carbon acceptor and donor possess triplet modes in the band gap between the acoustic and optic branches as well as localized triplet modes. The local mode of the acceptor lies within 40 cm-1 of the observed mode. Four modes of a close-by acceptor pair lie within 40 cm-1 of the local mode of the isolated acceptor and this supports a previous assignment of four satellite lines seen in heavily doped material to this defect. The modes of a donor-acceptor pair are investigated but there is no evidence of their existence.

Place, publisher, year, edition, pages
1994. Vol. 49, no 8, p. 5306-5312
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-7774DOI: 10.1103/PhysRevB.49.5306ISI: A1994MY97200020Scopus ID: 2-s2.0-12844284889Local ID: 6318dad0-1abc-11dd-8c59-000ea68e967bOAI: oai:DiVA.org:ltu-7774DiVA, id: diva2:980664
Note
Godkänd; 1994; 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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