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Theoretical study of planar defects in silicon carbide

Lookup NU author(s): Professor Patrick Briddon


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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.

Publication metadata

Author(s): Iwata H, Lindefelt U, Oberg S, Briddon PR

Publication type: Article

Publication status: Published

Journal: Journal of Physics: Condensed Matter

Year: 2002

Volume: 14

Issue: 48

Pages: 12733-12740

ISSN (print): 0953-8984

ISSN (electronic): 1361-648X

Publisher: Institute of Physics Publishing Ltd.


DOI: 10.1088/0953-8984/14/48/310


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