Quasiparticle Effects on Tunneling Currents: A Study of C{sub 2}H{sub 4} Adsorbed on the Si(001) -(2 x 1) Surface

Journal Article · Mon Mar 05 00:00:00 EST 2001 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.86.2110· OSTI ID:40205704

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)-( 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.

• Sponsoring Organization: (US)
• OSTI ID: 40205704
• Journal Information: Physical Review Letters, Vol. 86, Issue 10; Other Information: DOI: 10.1103/PhysRevLett.86.2110; Othernumber: PRLTAO000086000010002110000001; 061110PRL; PBD: 5 Mar 2001; ISSN 0031-9007
• Publisher: The American Physical Society
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
DIMERS
ELECTRONIC STRUCTURE
ENERGY LEVELS
ETHYLENE
MICROSCOPES
PHOTOEMISSION
PROBABILITY
SELF-ENERGY
SILICON
SPECTRA
TUNNELING