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Structure of Unhydrogenated Amorphous Silicon Carbide

Published online by Cambridge University Press:  28 February 2011

P. C. Kelires  and
I. Tersoff
P. C. Kelires
Affiliation:
IBM Research Division, T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, NY 10598, U.S.A.
I. Tersoff
Affiliation:
IBM Research Division, T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, NY 10598, U.S.A.
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Abstract

Simulations of unhydrogenated amorphous silicon carbide, formed by condensing a vapor of silicon and carbon atoms, indicate partial chemical ordering, with heteronuclear bonds predominating. We find no evidence of phase separation. Carbon atoms are predominantly three-fold coordinated while silicon atoms have four-fold coordination. By combining these results with results of experimental studies, we speculate on the role of hydrogenation in determining the structure of amorphous silicon carbide.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 225
Copyright
Copyright © Materials Research Society 1989

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