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Title: Microscopic origin of the π states in epitaxial silicene

We investigated the electronic properties of epitaxial silicene on ZrB{sub 2}(0001) thin film grown on Si(111) by means of low-temperature scanning tunneling spectroscopy and density functional theory calculations. The position of silicon atoms and thus, the localization of the valence and conduction states were deducted from the comparison of the spectra and the computed local density of states. We point out the strong contribution of p{sub z} orbitals of specific atoms to those states which indicates the π character of the conduction and valence bands. A clear correlation between hybridization of the orbitals of the Si atoms and the buckling was evidenced.
Authors:
; ;  [1] ; ;  [2] ;  [1] ;  [3]
  1. School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Ishikawa 923-1292 (Japan)
  2. The Institute for Solid State Physics, The University of Tokyo, Kashiwanoha 5-1-5, Kashiwa, Chiba 277-8581 (Japan)
  3. (Japan)
Publication Date:
OSTI Identifier:
22275719
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DENSITY FUNCTIONAL METHOD; EPITAXY; SPECTROSCOPY; THIN FILMS; TUNNEL EFFECT; ZIRCONIUM BORIDES