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Tight-Binding Study of the {211} Σ=3 Grain Boundary in Cubic Silicon-Carbide

Published online by Cambridge University Press:  21 February 2011

M. Kohyama  and
R. Yamamoto
M. Kohyama
Affiliation:
Department of Material Physics, Osaka National Research Institute, AIST, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
R. Yamamoto
Affiliation:
Institute of Industrial Science, University of Tokyo, 7–22–1, Roppongi, Minato-ku, Tokyo 106, Japan.
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Abstract

In grain boundaries in compound semiconductors such as SiC, the interface stoichiometry and the wrong bonds between like atoms are of much importance. Firstly, a general definition of the interface stoichiometry in such grain boundaries has been discussed. Secondly, the atomic and electronic structures of the {211} Σ=3 boundary in SiC have been examined by using the self-consistent tight-binding method, based on the atomic models with bonding networks similar to those in the models of the same boundary in Si or Ge. The wrong bonds have significant effects through the large electrostatic repulsion and the generation of localized states as well as those in the {122} Σ=9 boundary in SiC. And the different bond lengths of the wrong bonds very much affect the local bond distortions at the interfaces, which determines the relative stability among the present models.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 339: Symposium D – Diamond, Silicon Carbide and Nitride Wide Bandgap Semiconductors , 1994 , 9
Copyright
Copyright © Materials Research Society 1994

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References

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