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Core reconstructions of the (100) edge dislocation in single crystal CVD diamond
School of Physics, University of Exeter.
Max-Planck-Institut für Eisenforschung GmbH.
School of Physics, University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
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2007 (English)In: Physica status solidi. A, Applied research, ISSN 0031-8965, E-ISSN 1521-396X, Vol. 204, no 7, p. 2211-2215Article in journal (Refereed) Published
Abstract [en]

Dislocations are common defects in both natural as well as in CVD-grown diamond. Recent advances in the growth of high quality single crystal CVD diamond have led to an increased interest in the atomistic and electronic structure of 100 dislocations. These dislocations are observed as mixed-type 45° and pure edge dislocations. Previously we investigated both types and found that the 45° is by far lower in core energy than the proposed structure of the edge type. In this work we focus on the straight 100 dislocation only and present novel core reconstructions. We find a minimum energy structure for the edge-type dislocation which has a similar core energy as the mixed-type dislocation.

Place, publisher, year, edition, pages
2007. Vol. 204, no 7, p. 2211-2215
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-4729DOI: 10.1002/pssa.200675444ISI: 000248264100006Scopus ID: 2-s2.0-34547501307Local ID: 2b962540-8e8f-11dc-a188-000ea68e967bOAI: oai:DiVA.org:ltu-4729DiVA, id: diva2:977603
Note
Validerad; 2007; 20071109 (evan)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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