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A New Defect on the Reconstructed Si(100) Surface: An AB Initio Molecular-Dynamics Study

Published online by Cambridge University Press:  25 February 2011

Sigeo Ihara ,
Shi Lun Ho ,
Tsuyoshi Uda  and
Masahiko Hirao
Sigeo Ihara
Affiliation:
Central Research Laboratory, Hitachi, Ltd., Kokubunji, Tokyo 185, Japan
Shi Lun Ho
Affiliation:
Central Research Laboratory, Hitachi, Ltd., Kokubunji, Tokyo 185, Japan
Tsuyoshi Uda
Affiliation:
Advanced Research Laboratory, Hitachi, Ltd., Kokubunji, Tokyo 185, Japan
Masahiko Hirao
Affiliation:
Advanced Research Laboratory, Hitachi, Ltd., Kokubunji, Tokyo 185, Japan
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Abstract

An interstitial dimer, which is symmetric and recessed from the surface, is proposed as a new defect structure on reconstructed Si(100) surfaces. The structure of the interstitial dimer is studied using ab initio molecular-dynamics simulations, and shown to be stable. Possible arrangements of the new defects are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 159: Symposium C – Atomic Scale Structure of Interfaces , 1989 , 241
Copyright
Copyright © Materials Research Society 1990

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References

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