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Theoretical study of planar defects in silicon carbide
Department of Physics and Measurement Technology, Linköping University.
Department of Physics and Measurement Technology, Linköping University.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
Department of Physics, University of Newcastle.
2002 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 14, no 48, p. 12733-12740Article in journal (Refereed) Published
Abstract [en]

We report on a theoretical investigation of extended planar defects in 3C-, 4H-, 6H-, and 15R-SiC which can be formed without breaking any bonds, covering a wide range of planar defects: twin boundaries, stacking faults, and polytype inclusions. Their electronic structures have been intensively studied using an ab initio supercell approach based on the density functional theory. Stacking fault energies are also calculated using both the supercell method and the axial next-nearest-neighbour Ising model. We discuss the electronic properties and energies of these defects in terms of the geometrical differences of stacking patterns.

Place, publisher, year, edition, pages
2002. Vol. 14, no 48, p. 12733-12740
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-2805DOI: 10.1088/0953-8984/14/48/310ISI: 000180091100011Scopus ID: 2-s2.0-0037122091Local ID: 08107f70-c005-11db-834c-000ea68e967bOAI: oai:DiVA.org:ltu-2805DiVA, id: diva2:975658
Note
Validerad; 2002; 20070219 (kani)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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