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Theoretical study of planar defects in silicon carbide
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology.
Öberg, S., Department of Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden.
Department of Physics, University of Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, United Kingdom.
2002 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, Vol. 14, no 48, 12733-12740 p.Article 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, 12733-12740 p.
National Category
Engineering and Technology
URN: urn:nbn:se:liu:diva-46782DOI: 10.1088/0953-8984/14/48/310OAI: diva2:267678
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2011-01-13

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Lindefelt, Ulf
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The Institute of TechnologyDepartment of Physics, Chemistry and Biology
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