Journal
SURFACE SCIENCE
Volume 605, Issue 5-6, Pages 551-554Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2010.12.015
Keywords
Density-functional calculations; Metal-semiconductor interfaces; Lead; Silicon; Surface electronic phenomena
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Funding
- National Research Foundation of Korea [2010-0016873]
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Electronic structure of the Pb/Si(111)-(root 7 x root 3) surface has been studied by using density-functional theory calculations for a representative structural model with a coverage of 1.2 ML Our calculations do not reproduce all the bands reported in an angle-resolved photoemission spectroscopy (ARPES) study, but we find that this discrepancy could be resolved by taking into account the effect of the triple-domain structure of the (root 7 x root 3) surface samples. We also find that, while the calculated Fermi surface for a single-domain (root 7 x root 3) surface bears a (root 7 x root 3) periodicity, the overlap of the Fermi surfaces for three different (root 7 x root 3) domains reveals an effective (1 x 1) periodic pattern similar to the (1 x 1) Fermi surface measured for the (root 7 x root 3) surface. Thus, the unusual (1 x 1) pattern appearing in the measured Fermi surface is not likely due to any strong (1 x 1) potential in the (root 7 x root 3) surface as was speculated in the ARPES study. (C) 2010 Elsevier B.V. All rights reserved.
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