Many-body calculation of the surface-state energies for Si(111)2 times 1
Abstract
The surface-state excitation energies for the Si(111)2{times}1 surface have been calculated in the {ital GW} approximation. The energy position and the dispersion of the occupied and empty surface states are in excellent agreement with photoemission and inverse-photoemission experiments. The calculated quasiparticle surface-state band gap, 0.62 eV, is 0.15 eV larger than the measured onset energy for electron-hole pair excitations. The possibility that excitonic effects are responsible for this difference is examined.
- Authors:
-
- Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, California 94340 (US) AT T Bell Laboratories, 600 Mountain Avenue, Murray Hill, New Jersey 07094 Department of Physics, University of California, Berkeley, California 94720 Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
- Publication Date:
- OSTI Identifier:
- 5875401
- DOE Contract Number:
- AC03-76SF00098
- Resource Type:
- Journal Article
- Journal Name:
- Physical Review Letters; (USA)
- Additional Journal Information:
- Journal Volume: 66:4; Journal ID: ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; SILICON; QUASI PARTICLES; CORRELATIONS; ELECTRON-HOLE DROPLETS; ENERGY GAP; ENERGY SPECTRA; EXCITATION; MANY-BODY PROBLEM; PHOTOEMISSION; THEORETICAL DATA; THIN FILMS; DATA; ELEMENTS; EMISSION; ENERGY-LEVEL TRANSITIONS; FILMS; INFORMATION; NUMERICAL DATA; PLASMA; SECONDARY EMISSION; SEMIMETALS; SOLID-STATE PLASMA; SPECTRA; 360603* - Materials- Properties
Citation Formats
Northrup, J E, Hybertsen, M S, and Louie, S G. Many-body calculation of the surface-state energies for Si(111)2 times 1. United States: N. p., 1991.
Web. doi:10.1103/PhysRevLett.66.500.
Northrup, J E, Hybertsen, M S, & Louie, S G. Many-body calculation of the surface-state energies for Si(111)2 times 1. United States. https://doi.org/10.1103/PhysRevLett.66.500
Northrup, J E, Hybertsen, M S, and Louie, S G. 1991.
"Many-body calculation of the surface-state energies for Si(111)2 times 1". United States. https://doi.org/10.1103/PhysRevLett.66.500.
@article{osti_5875401,
title = {Many-body calculation of the surface-state energies for Si(111)2 times 1},
author = {Northrup, J E and Hybertsen, M S and Louie, S G},
abstractNote = {The surface-state excitation energies for the Si(111)2{times}1 surface have been calculated in the {ital GW} approximation. The energy position and the dispersion of the occupied and empty surface states are in excellent agreement with photoemission and inverse-photoemission experiments. The calculated quasiparticle surface-state band gap, 0.62 eV, is 0.15 eV larger than the measured onset energy for electron-hole pair excitations. The possibility that excitonic effects are responsible for this difference is examined.},
doi = {10.1103/PhysRevLett.66.500},
url = {https://www.osti.gov/biblio/5875401},
journal = {Physical Review Letters; (USA)},
issn = {0031-9007},
number = ,
volume = 66:4,
place = {United States},
year = {Mon Jan 28 00:00:00 EST 1991},
month = {Mon Jan 28 00:00:00 EST 1991}
}
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