Redondo, Antonio and Goddard, William A., III and McGill, T. C.
(1982)
Mott insulator model of the Si(111)–(2×1) surface.
Journal of Vacuum Science and Technology, 21
(2).
pp. 649-654.
ISSN 0022-5355.
doi:10.1116/1.571806.
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Abstract
Theoretical cluster calculations for the Si(111)–(2×1) surface lead to a description in which there is a singly occupied dangling bond on each surface atom. These orbitals are weakly coupled, forming a nondegenerate, nonmetallic two-dimensional Mott insulator, a description involving very strong electron correlation effects. Strong experimental support for this Mott insulator description is provided by (i) the magnitude of Si(2p) core level shifts, (ii) the dispersion of the dangling bond energy bands, and (iii) the absolute ionization potential from the dangling bond levels.
Item Type: | Article |
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Additional Information: | © 1982 American Vacuum Society.
Received 21 December 1991; accepted 26 February 1982.
We would like to thank Mr. Arthur F. Voter for assistance in some of the calculations reported here. We also acknowledge support of this work by Contract No. N00014-79-C-0797 from the Office of Naval Research.
This paper was presented at the 28th National Symposium in Anaheim, CA in 1981.
Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 6575. |
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Funders: | Funding Agency | Grant Number |
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Office of Naval Research | N00014-79-C-0797 |
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Subject Keywords: | SILICON; SOLID CLUSTERS; ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; BAND THEORY; ENERGY LEVELS; CHEMICAL BONDS |
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Other Numbering System: | Other Numbering System Name | Other Numbering System ID |
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Arthur Amos Noyes Laboratory of Chemical Physics | 6575 | WAG | 0172 |
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Issue or Number: | 2 |
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DOI: | 10.1116/1.571806 |
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Record Number: | CaltechAUTHORS:REDjvst82a |
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Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:REDjvst82a |
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Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. |
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ID Code: | 11317 |
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Collection: | CaltechAUTHORS |
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Deposited On: | 30 Jul 2008 23:15 |
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Last Modified: | 08 Nov 2021 21:57 |
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