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Theoretical study o...
Theoretical study of planar defects in silicon carbide
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- Iwata, H. (author)
- Department of Physics and Measurement Technology, Linköping University
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- Lindefelt, Ulf (author)
- Linköpings universitet,Tekniska högskolan,Institutionen för fysik, kemi och biologi
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- Öberg, Sven (author)
- Luleå tekniska universitet,Matematiska vetenskaper,Öberg, S., Department of Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden
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- Briddon, P.R. (author)
- Department of Physics, University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, United Kingdom
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(creator_code:org_t)
- 2002-11-22
- 2002
- English.
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In: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 14:48, s. 12733-12740
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Matematik -- Beräkningsmatematik (hsv//swe)
- NATURAL SCIENCES -- Mathematics -- Computational Mathematics (hsv//eng)
Keyword
- Scientific Computing
- Teknisk-vetenskapliga beräkningar
- TECHNOLOGY
Publication and Content Type
- ref (subject category)
- art (subject category)
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