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Modeling of the Transition From Active to Passive Oxidation of Si(100)

Published online by Cambridge University Press:  10 February 2011

Da-Jiang Liu ,
Cheol Ho Choi ,
Mark S. Gordon  and
J.W. Evans
Da-Jiang Liu
Affiliation:
Ames Laboratory, and Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011
Cheol Ho Choi
Affiliation:
Ames Laboratory, and Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011 Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011
Mark S. Gordon
Affiliation:
Ames Laboratory, and Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011 Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011
J.W. Evans
Affiliation:
Ames Laboratory, and Departments of Chemistry and Mathematics, Iowa State University, Ames, Iowa 50011 Mathematics, Iowa State University, Ames, Iowa 50011
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Abstract

For a Si(100)2×1 surface exposed to oxygen, there is a transition from etching (“active” oxidation via removal of SiO) to “passive” oxidation (buildup of an oxide film) with decreasing surface temperature. The transition depends sensitively on a competition between SiO desorption, and oxide island formation. We analyze these processes utilizing both ab-initio quantum chemistry studies of key energetics and lattice-gas models for the cooperative behavior.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 619: Symposium L – Recent Developments in Oxide & Metal Epitaxy – Theory… , 2000 , 173
Copyright
Copyright © Materials Research Society 2000

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References

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