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Total Energy Differences Between Silicon Carbide Polytypes and their Implications for Crystal Growth

Published online by Cambridge University Press:  10 February 2011

Sukit Llmpijumnong  and
Walter R. L. Lambrecht
Sukit Llmpijumnong
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
Walter R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
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Abstract

The energy differences between various SiC polytypes are calculated using the full-potential linear muffin-tin orbital method and analyzed in terms of the anisotropie next nearest neighbor interaction (ANNNI) model. The fact that J1 + 2J2 < 0 with J1 > 0 implies that twin boundaries in otherwise cubic material are favorable unless twins occur as nearest neighbor layers. Contrary to some other recent calculations we find J1 > |J2|. We discuss the consequences of this for stabilization of cubic SiC in epitaxial growth, including considerations of the island size effects.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 492: Symposium S – Microscopic Simulation of Interfacial Phenomena in Solids… , 1997 , 145
Copyright
Copyright © Materials Research Society 1998

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References

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