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Theoretical investigation on the interaction of nitrogen with dislocations in single crystal CVD diamond
University of Exeter.
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
School of Natural Science, University of Newcastle upon Tyne.
2008 (English)In: Diamond and related materials, ISSN 0925-9635, E-ISSN 1879-0062, Vol. 17, no 2, p. 123-126Article in journal (Refereed) Published
Abstract [en]

In recent experimental studies, evidence for an atmosphere of nitrogen around the cores of dislocations was found in irradiated single crystal CVD diamond. In this paper, we present a first-principles study on the interaction of nitrogen with dislocations in single crystal CVD diamond, where dislocations are observed as mixed-type 45° and 90° edge-type dislocations lying along <100>. We find a strong binding of nitrogen to the dislocation core for both types of dislocations and show that our results are in consistency with the experiment.

Place, publisher, year, edition, pages
2008. Vol. 17, no 2, p. 123-126
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-11769DOI: 10.1016/j.diamond.2007.11.004Scopus ID: 2-s2.0-38149094273Local ID: ac7ec4c0-3ba3-11dd-8e42-000ea68e967bOAI: oai:DiVA.org:ltu-11769DiVA, id: diva2:984719
Note
Validerad; 2008; 20080616 (ysko)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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