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Energies and Atomic Structures of Grain Boundaries in Diamond: Comparison With Grain Boundaries in Silicon

Published online by Cambridge University Press:  21 February 2011

M. Kohyama ,
H. Ichinose ,
Y. Ishida  and
M. Nakanose
M. Kohyama
Affiliation:
Department of Material Physics, Osaka National Research Institute, AIST, 1–8–31, Midorigaoka, Ikeda, Osaka 563, Japan.
H. Ichinose
Affiliation:
Department of Materials Science, University of Tokyo, 7–3–1, Hongo, Bunkyo-ku, Tokyo 103, Japan.
Y. Ishida
Affiliation:
Department of Materials Science, University of Tokyo, 7–3–1, Hongo, Bunkyo-ku, Tokyo 103, Japan.
M. Nakanose
Affiliation:
Nissan Motor Company Ltd., Aerospace Div., 3–5–1, Monomi, Suginami-ku, Tokyo 168, Japan.
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Abstract

Fairly different features of grain boundaries in diamond from those in Si were experimentally observed in diamond thin films. As the first step in order to understand the fundamental properties of grain boundaries in diamond, the energy and atomic structure of the {122} σ=9 tilt boundary have been calculated for the first time by using the tight-binding electronic theory. The results have been compared with the calculations of the same boundary and the {111} σ=3 boundary in Si. It has been shown that the σ=9 boundary in diamond has a very large interfacial energy caused by the large bond rigidity as compared with the boundaries in Si and the {111}σ=3 boundary in diamond. This point should be related to the observation that the {122}σ =9 boundary is rarely found in diamond thin films.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 339: Symposium D – Diamond, Silicon Carbide and Nitride Wide Bandgap Semiconductors , 1994 , 681
Copyright
Copyright © Materials Research Society 1994

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References

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