Quasiparticle effects on tunneling currents: a study of C2H4 adsorbed on the Si(001)-2x1 surface

Journal Article · Wed Oct 11 00:00:00 EDT 2000 · Physical Review Letters

OSTI ID:805109

Rignanese, G -M; Blase, X; Louie, S G

We present a first-principles calculation of the quasiparticle electronic structure of ethylene adsorbed on the dimer reconstructed Si(001)-(2 X 1) surface. Within the GW approximation, the self-energy corrections for the adsorbate states are found to be about 1.5 eV 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 C2H4 energy levels within GW strongly reduces their tunneling probability.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Director, Office of Science. Office of Basic Energy Studies. Materials Science and Engineering Division; National Science Foundation (US)
• DOE Contract Number: AC03-76SF00098
• OSTI ID: 805109
• Report Number(s): LBNL-46967; PRLTAO; R&D Project: 506701; B& R KC0202030; TRN: US0301646
• Journal Information: Physical Review Letters, Vol. 86, Issue 10; Other Information: Journal Publication Date: 5 March5 March 2001; PBD: 11 Oct 2000; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
DIMERS
ELECTRONIC STRUCTURE
ENERGY LEVELS
ETHYLENE
MICROSCOPES
PHOTOEMISSION
PROBABILITY
SELF-ENERGY
SILICON
SPECTRA
TUNNELING