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Stacking fault - stacking fault interactions and cubic inclusions in 6H-SiC: an ab initio study
Department of Physics, Linköping University.
Department of Physics, 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.
2003 (English)In: Silicon carbide and related materials: ECSCRM 2002 : proceedings of the 4th European Conference on Silicon Carbide and Related Materials, September 2-5, 2002, Linköping, Sweden / [ed] Peder Bergman; Erik Janzén, Uetikon-Zuerich: Trans Tech Publications Inc., 2003, p. 921-924Conference paper, Published paper (Refereed)
Abstract [en]

We report on a first-principles supercell calculation of cubic inclusions in 6H-SiC. Motions of successive partial dislocations having the same Burgers vector in the basal planes can lead to a 3C-like region in the perfect 6H-SiC crystal, which corresponds to multiple stacking faults. We have calculated the electronic structures and the total energies of 6H-SiC crystals containing m stacking faults (m=l-4) in the adjacent basal planes, based on the density functional theory in the local density approximation. It has been found that 3C-like sequences in the 6H-host crystals can act as planar quantum wells, in which conduction band electrons can be confined. The total energy calculations using both the supercell method and the axial next nearest neighbor Ising model (ANNNI) have revealed that the 2nd stacking fault energy in 6H-SiC is about 6 times larger than that of an isolated stacking fault.

Place, publisher, year, edition, pages
Uetikon-Zuerich: Trans Tech Publications Inc., 2003. p. 921-924
Series
Materials Science Forum, ISSN 0255-5476 ; 433-436
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-28022Local ID: 1ab7d150-c735-11db-98d9-000ea68e967bISBN: 0-87849-920-2 (print)OAI: oai:DiVA.org:ltu-28022DiVA, id: diva2:1001215
Conference
European Conference on Silicon Carbide and Related Materials : 02/09/2002 - 05/09/2002
Note
Validerad; 2003; 20070227 (kani)Available from: 2016-09-30 Created: 2016-09-30 Last updated: 2017-11-25Bibliographically approved

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http://www.scientific.net/0-87849-920-2/921/

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Öberg, Sven

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