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Title: 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:
; ;  [1]
  1. 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}
}