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Theoretical calculation of stacking fault energies in silicon carbide
Linkoping Univ, Dept Phys & Measurement Technol, SE-58183 Linkoping, Sweden ABB Corp Res, SE-72178 Vasteras, Sweden Lulea Univ Technol, Dept Math, SE-97187 Lulea, Sweden Univ Newcastle Upon Tyne, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England.
Linköpings universitet, Tekniska högskolan. Linköpings universitet, Institutionen för fysik, kemi och biologi.
Linkoping Univ, Dept Phys & Measurement Technol, SE-58183 Linkoping, Sweden ABB Corp Res, SE-72178 Vasteras, Sweden Lulea Univ Technol, Dept Math, SE-97187 Lulea, Sweden Univ Newcastle Upon Tyne, Dept Phys, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England.
2002 (engelsk)Inngår i: Materials Science Forum, ISSN 0255-5476, E-ISSN 1662-9752, Vol. 389-3, s. 439-442Artikkel i tidsskrift (Fagfellevurdert) Published
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.

sted, utgiver, år, opplag, sider
2002. Vol. 389-3, s. 439-442
Emneord [en]
first-principles calculations, stacking faults, stacking fault energy
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Identifikatorer
URN: urn:nbn:se:liu:diva-48806OAI: oai:DiVA.org:liu-48806DiVA, id: diva2:269702
Tilgjengelig fra: 2009-10-11 Laget: 2009-10-11 Sist oppdatert: 2017-12-12

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