Many-body calculation of the surface-state energies for Si(111)2 times 1

Journal Article · Mon Jan 28 00:00:00 EST 1991 · Physical Review Letters; (USA)

DOI:https://doi.org/10.1103/PhysRevLett.66.500· OSTI ID:5875401

Northrup, J E; Hybertsen, M S; Louie, S G ^[1]

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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

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.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5875401
• Journal Information: Physical Review Letters; (USA), Vol. 66:4; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

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