Three-dimensional unoccupied band structure of graphite: Very-low-energy electron diffraction and band calculations

V. N. Strocov, P. Blaha, H. I. Starnberg, M. Rohlfing, R. Claessen, J.-M. Debever, and J.-M. Themlin
Phys. Rev. B 61, 4994 – Published 15 February 2000
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Abstract

The unoccupied band structure of single-crystal graphite above the vacuum level is studied by very-low-energy electron diffraction. The position and dispersion of the three-dimensional bands coupling to vacuum, including the so-called interlayer state, are determined. The three-dimensional character prevails in the unoccupied bands, but quasi-two-dimensionality of this layered material results in their strongly non-free-electron dispersion. By comparison to a state-of-art density-functional and a many-body band calculation we identify self-energy corrections.

  • Received 21 September 1999

DOI:https://doi.org/10.1103/PhysRevB.61.4994

©2000 American Physical Society

Authors & Affiliations

V. N. Strocov*

  • Groupe de Physique des Etats Condensés UMR CNRS 6631, Université de la Méditerraneé, Faculté des Sciences de Luminy, 13288 Marseille Cedex 9, France
  • Department of Physics, Chalmers University of Technology and Göteborg University, SE-41296 Göteborg, Sweden

P. Blaha

  • Institut für Physikalische und Theoretische Chemie, Technische Universität Wien, A-1060 Wien, Austria

H. I. Starnberg

  • Department of Physics, Chalmers University of Technology and Göteborg University, SE-41296 Göteborg, Sweden

M. Rohlfing

  • Institut für Theoretische Physik II, Universität Münster, D-48149 Münster, Germany

R. Claessen

  • Experimentalphysik II, Universität Augsburg, D-86135 Augsburg, Germany

J.-M. Debever and J.-M. Themlin

  • Groupe de Physique des Etats Condensés UMR CNRS 6631, Université de la Méditerraneé, Faculté des Sciences de Luminy, 13288 Marseille Cedex 9, France

  • *Also at the Institute for High-Performance Computations and Data Bases, P. O. Box 71, 194291 St. Petersburg, Russia.

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Vol. 61, Iss. 7 — 15 February 2000

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