Mott insulator model of the Si(111)–(2×1) surface

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. https://resolver.caltech.edu/CaltechAUTHORS:REDjvst82a

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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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URL	URL Type	Description
http://dx.doi.org/10.1116/1.571806	DOI	Article
https://avs.scitation.org/doi/10.1116/1.571806	Publisher	Article

ORCID:

Author	ORCID
Goddard, William A., III	0000-0003-0097-5716

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.

Funders:

Funding Agency	Grant Number
Office of Naval Research	N00014-79-C-0797

Subject Keywords:

SILICON; SOLID CLUSTERS; ELECTRONIC STRUCTURE; IONIZATION POTENTIAL; BAND THEORY; ENERGY LEVELS; CHEMICAL BONDS

Other Numbering System:

Other Numbering System Name	Other Numbering System ID
Arthur Amos Noyes Laboratory of Chemical Physics	6575
WAG	0172

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DOI:

10.1116/1.571806

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CaltechAUTHORS:REDjvst82a

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https://resolver.caltech.edu/CaltechAUTHORS:REDjvst82a

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11317

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CaltechAUTHORS

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Deposited On:

30 Jul 2008 23:15

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08 Nov 2021 21:57

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