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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 tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.ORCID-id: 0000-0002-0292-1159
Department of Physics, University of Newcastle.
2003 (Engelska)Ingår i: 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, s. 921-924Konferensbidrag, Publicerat paper (Refereegranskat)
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.

Ort, förlag, år, upplaga, sidor
Uetikon-Zuerich: Trans Tech Publications Inc., 2003. s. 921-924
Serie
Materials Science Forum, ISSN 0255-5476 ; 433-436
Nationell ämneskategori
Beräkningsmatematik
Forskningsämne
Teknisk-vetenskapliga beräkningar
Identifikatorer
URN: urn:nbn:se:ltu:diva-28022Lokalt ID: 1ab7d150-c735-11db-98d9-000ea68e967bISBN: 0-87849-920-2 (tryckt)OAI: oai:DiVA.org:ltu-28022DiVA, id: diva2:1001215
Konferens
European Conference on Silicon Carbide and Related Materials : 02/09/2002 - 05/09/2002
Anmärkning
Validerad; 2003; 20070227 (kani)Tillgänglig från: 2016-09-30 Skapad: 2016-09-30 Senast uppdaterad: 2017-11-25Bibliografiskt granskad

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

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Öberg, Sven

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