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Author Rignanese, G. -M. ♦ Blase, X. ♦ Louie, S. G.
Sponsorship (US)
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Publisher The American Physical Society
Language English
Subject Keyword CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ♦ DIMERS ♦ ELECTRONIC STRUCTURE ♦ ENERGY LEVELS ♦ ETHYLENE ♦ MICROSCOPES ♦ PHOTOEMISSION ♦ PROBABILITY ♦ SELF-ENERGY ♦ SILICON ♦ SPECTRA ♦ TUNNELING
Abstract We present a first-principles calculation of the quasiparticle electronic structure of ethylene adsorbed on the dimer reconstructed Si(001)-( 2x1) surface. Within the GW approximation, the self-energy corrections for the adsorbate states are found to be about 1.5eV larger than those for the states derived from bulk silicon. The calculated quasiparticle band structure is in excellent agreement with photoemission spectra. Finally, the effects of the quasiparticle corrections on the scanning tunneling microscope images of the adsorbed molecules are shown to be important as the lowering of the C{sub 2}H {sub 4} energy levels within GW strongly reduces their tunneling probability.
ISSN 00319007
Educational Use Research
Learning Resource Type Article
Publisher Date 2001-03-05
Publisher Place United States
Journal Physical Review Letters
Volume Number 86
Issue Number 10


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