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Cluster Model Theoretical Study of the Interaction and Penetration of F on a Si Surface

Published online by Cambridge University Press:  21 February 2011

Paul S. Bagus
Paul S. Bagus*
Affiliation:
IBM Research Laboratory, San Jose, CA 95193
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Abstract

The interaction of fluorine with a three-fold open site of the Si(111) surface has been examined using a cluster model. The site considered is taken as representative of one where penetration of the surface may occur. New analyses are used to show that the interaction is ionic with F having essentially a full negative charge for all distances near the surface, both above and below. The bonding is shown to be almost entirely electrostatic between the polarized charges of the positive Si surface and F-. The F-Si binding energy is estimated taking proper account of the electron affinity of F and the ionization potential, work function, of Si. When this is done, it is shown that there is no barrier for the penetration of the Si surface by F; hence, this penetration should not be a rate limiting step in the F-Si etching reaction.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 38: Symposium F – Plasma Synthesis and Etching of Electronic Materials , 1984 , 179
Copyright
Copyright © Materials Research Society 1985

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