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

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.

Authors:
; ;
Publication Date:
Sponsoring Org.:
(US)
OSTI Identifier:
40205704
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 86; Journal Issue: 10; Other Information: DOI: 10.1103/PhysRevLett.86.2110; Othernumber: PRLTAO000086000010002110000001; 061110PRL; PBD: 5 Mar 2001; Journal ID: ISSN 0031-9007
Publisher:
The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DIMERS; ELECTRONIC STRUCTURE; ENERGY LEVELS; ETHYLENE; MICROSCOPES; PHOTOEMISSION; PROBABILITY; SELF-ENERGY; SILICON; SPECTRA; TUNNELING

Citation Formats

Rignanese, G -M, Blase, X, and Louie, S G. Quasiparticle Effects on Tunneling Currents: A Study of C{sub 2}H{sub 4} Adsorbed on the Si(001) -(2 x 1) Surface. United States: N. p., 2001. Web. doi:10.1103/PhysRevLett.86.2110.
Rignanese, G -M, Blase, X, & Louie, S G. Quasiparticle Effects on Tunneling Currents: A Study of C{sub 2}H{sub 4} Adsorbed on the Si(001) -(2 x 1) Surface. United States. doi:10.1103/PhysRevLett.86.2110.
Rignanese, G -M, Blase, X, and Louie, S G. Mon . "Quasiparticle Effects on Tunneling Currents: A Study of C{sub 2}H{sub 4} Adsorbed on the Si(001) -(2 x 1) Surface". United States. doi:10.1103/PhysRevLett.86.2110.
@article{osti_40205704,
title = {Quasiparticle Effects on Tunneling Currents: A Study of C{sub 2}H{sub 4} Adsorbed on the Si(001) -(2 x 1) Surface},
author = {Rignanese, G -M and Blase, X and Louie, S G},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.86.2110},
journal = {Physical Review Letters},
issn = {0031-9007},
number = 10,
volume = 86,
place = {United States},
year = {2001},
month = {3}
}