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Electronic structure of steps on silicon (111) surfaces from theoretical studies of finite clusters

Redondo, A. and Goddard, W. A., III and McGill, T. C. (1981) Electronic structure of steps on silicon (111) surfaces from theoretical studies of finite clusters. Physical Review B, 24 (10). pp. 6135-6138. ISSN 0163-1829. http://resolver.caltech.edu/CaltechAUTHORS:REDprb81

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Abstract

Generalized valence-bond and configuration-interaction calculations were carried out for models of the steps on (111) surfaces. A characteristic of the step is a divalent Si atom adjacent to a trivalent surface Si atom. The result is three localized electronic states separated by less than 0.3 eV. These states have quite different electronic structure than the surface dangling bond, and they are expected to be reactive toward a large range of chemical species.


Item Type:Article
Additional Information:©1981 The American Physical Society. Received 1 June 1981. This work was supported in part by the U. S. Office of Naval Research, Contract No. N00014-79-C-0797.
Record Number:CaltechAUTHORS:REDprb81
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:REDprb81
Alternative URL:http://dx.doi.org/10.1103/PhysRevB.24.6135
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:3210
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:22 May 2006
Last Modified:26 Dec 2012 08:53

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