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Structure and Properties of Inversion Domain Boundaries in β-Sic

Published online by Cambridge University Press:  25 February 2011

W. R. L. Lambrecht ,
C. H. Lee  and
B. Segall
W. R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
C. H. Lee
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106
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Abstract

The structure of inversion domain boundaries in β-SiC (i.e. boundaries between domains with inverted Si and C positions) is investigated by means of a Keating model. For the (110) boundary, the relaxation of the C-C and Si-Si bonds towards the ideal bond lengths which occur in the diamond structure can basically be achieved by a rotation of neighboring Si-C bonds. For the (001) boundary, it is achieved by varying the spacing between the domains. The electronic properties and total energy of formation of the relaxed (110) boundary are studied by means of linear muffin-tin orbital calculations. The interface localized states in the semiconducting gap are mainly due to the Si-Si bonds and lead to a semimetallic situation near the interface.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 159: Symposium C – Atomic Scale Structure of Interfaces , 1989 , 377
Copyright
Copyright © Materials Research Society 1990

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References

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