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Optical properties of vacancy related defects in diamond
School of Physics, University of Exeter.
School of Physics, University of Exeter.
DTC, Maidenhead.
School of Natural Science, University of Newcastle upon Tyne.
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2005 (English)In: Physica status solidi. A, Applied research, ISSN 0031-8965, E-ISSN 1521-396X, Vol. 202, no 11, p. 2182-2187Article in journal (Refereed) Published
Abstract [en]

‹110› vacancy chains, multi-vacancy clusters and vacancy discs have been modeled using density functional theory within the AIMPRO and DFTB codes. While a connection can be established between the results on vacancy chains and previous EPR experiments, no connection can be made between the point defects and the optical properties of natural type IIa brown diamonds. However, a vacancy disc consisting of a {111} double plane of vacancies is stable and possesses an absorption spectrum similar to that found in brown diamonds.

Place, publisher, year, edition, pages
2005. Vol. 202, no 11, p. 2182-2187
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-9757DOI: 10.1002/pssa.200561914ISI: 000231925500026Scopus ID: 2-s2.0-33645467908Local ID: 86f34f60-bcfa-11db-9be7-000ea68e967bOAI: oai:DiVA.org:ltu-9757DiVA, id: diva2:982695
Note

Validerad; 2005; 20070215 (kani)

Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2019-05-06Bibliographically approved

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Öberg, Sven

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