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Ab initio investigation of the dislocation structure and activation energy for dislocation motion in silicon carbide
University of Exeter.
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
University of Exeter.
1995 (English)In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 52, no 7, p. 4951-4955Article in journal (Refereed) Published
Abstract [en]

The structures of straight 90° glide partial dislocations in SiC are calculated using an ab initio local density functional cluster method. Si partials containing core Si atoms are found to be strongly reconstructed with a Si-Si bond of comparable length to that in bulk silicon. The C partial possessing core C atoms is more weakly reconstructed with a bond length 16% longer than that in bulk diamond. The formation and migration energies of kinks on the partials are calculated and indicate that the C partial is the more mobile. The calculations also predict that n-type doping leads to an increase in the mobility of C partials whereas p-type doping increases the mobility of Si partials.

Place, publisher, year, edition, pages
1995. Vol. 52, no 7, p. 4951-4955
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-11393DOI: 10.1103/PhysRevB.52.4951ISI: A1995RR50200060Scopus ID: 2-s2.0-0000047373Local ID: a5986bf0-1ab7-11dd-8c59-000ea68e967bOAI: oai:DiVA.org:ltu-11393DiVA, id: diva2:984343
Note
Godkänd; 1995; 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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