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First-Principles Study of Epitaxial Growth of Zinc-Blende CrAs on GaAs Substrates

Published online by Cambridge University Press:  01 February 2011

Kiichiro Mukose ,
Koichi Kusakabe  and
Naoshi Suzuki
Kiichiro Mukose
Affiliation:
Graduate School of Engineering Science, Osaka University, Machikaneyama-cho 1-3, Toyonaka, Osaka 560-8531, Japan.
Koichi Kusakabe
Affiliation:
Graduate School of Engineering Science, Osaka University, Machikaneyama-cho 1-3, Toyonaka, Osaka 560-8531, Japan.
Naoshi Suzuki
Affiliation:
Graduate School of Engineering Science, Osaka University, Machikaneyama-cho 1-3, Toyonaka, Osaka 560-8531, Japan.
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Abstract

We study the epitaxial growth mechanisms of the zinc-blende CrAs on the GaAs substrates theoretically, from the first principles using the pseudopotential method. We assume some model structures containing various numbers of Cr adatoms or CrAs films on the GaAs (001) substrates, and compare the structural stabilities of them. We found that Cr adatoms may make some interstitial defects in the GaAs substrate in low coverage, but they can create a complete Cr layer in high coverage.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 859: Symposium JJ – Modeling of Morphological Evolution at Surfaces and Interfaces , 2004 , JJ3.8
Copyright
Copyright © Materials Research Society 2005

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References

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