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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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.
|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.|
|Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||22 May 2006|
|Last Modified:||26 Dec 2012 08:53|
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