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Theoretical calculation of stacking fault energies in silicon carbide
Department of Physics & Measurement Technology, Linköping University.
Department of Physics and Measurement Technology, Linköping University.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
Department of Physics, University of Newcastle.
2002 (English)In: Silicon carbide and related materials: ICSCRM2001 : proceedings of the International Conference on Silicon Carbide and Related Materials, Tsukuba, Japan, October 28 - November 2, 2001 / [ed] S. Yoshida, Zürich-Uetikon: Trans Tech Publications Inc., 2002, Vol. 1, 439-42 p.Conference paper (Refereed)
Abstract [en]

A first-principles calculation of stacking fault energies in 3C-, 4H-, and 6H-SiC, based on the local-density approximation within the density-functional theory, is reported. All the structurally different stacking faults -which can be introduced by glide along the (0001) basal plane are considered. The number of such stacking faults in these polytypes is one, two, and three, respectively. The stacking fault energies are also calculated using the simpler generalized axial next-nearest-neighbor Ising (ANNNI) model. Our calculations confirm that the stacking fault energy of 3C-SiC is negative, and we also find that one of the three types of stacking faults in 6H-SiC has a considerably higher stacking fault energy than the other two types

Place, publisher, year, edition, pages
Zürich-Uetikon: Trans Tech Publications Inc., 2002. Vol. 1, 439-42 p.
Series
, Materials Science Forum, ISSN 0255-5476 ; 389-393
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-38188Local ID: c814e140-c734-11db-98d9-000ea68e967bISBN: 0-87849-894-XOAI: oai:DiVA.org:ltu-38188DiVA: diva2:1011687
Conference
International Conference on Silicon Carbide and Related Materials : 28/10/2001 - 02/11/2001
Note
Validerad; 2002; 20070227 (kani)Available from: 2016-10-03 Created: 2016-10-03Bibliographically approved

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