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Published July 1982 | Published
Journal Article Open

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

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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.

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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