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Title: Occupied and unoccupied electronic structure of Na doped MoS{sub 2}(0001)

The influence of sodium on the band structure of MoS{sub 2}(0001) and the comparison of the experimental band dispersion with density functional theory show excellent agreement for the occupied states (angle-resolved photoemission) and qualitative agreement for the unoccupied states (inverse photoemission spectroscopy). Na-adsorption leads to charge transfer to the MoS{sub 2} surface causing an effect similar to n-type doping of a semiconductor. The MoS{sub 2} occupied valence band structure shifts rigidly to greater binding with little change in the occupied state dispersion. Likewise, the unoccupied states shift downward, approaching the Fermi level, yet the amount of the shift for the unoccupied states is greater than that of the occupied states, effectively causing a narrowing of the MoS{sub 2} bandgap.
Authors:
; ;  [1] ; ;  [2] ; ;  [3] ; ; ;  [4] ; ;  [5] ;  [4] ;  [6]
  1. Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 N 16th St., University of Nebraska, Lincoln, Nebraska 68588-0299 (United States)
  2. Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, Florida 32816 (United States)
  3. Department of Chemistry and the Materials Science and Engineering Program, University of California - Riverside, Riverside, California 92521 (United States)
  4. Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan)
  5. Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)
  6. (Japan)
Publication Date:
OSTI Identifier:
22395522
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ADSORPTION; COMPARATIVE EVALUATIONS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; ENERGY GAP; FERMI LEVEL; N-TYPE CONDUCTORS; PHOTOELECTRON SPECTROSCOPY; PHOTOEMISSION; SEMICONDUCTOR MATERIALS; SODIUM; SURFACES; VALENCE