SELF-ENERGY EFFECTS IN THE UNOCCUPIED AND OCCUPIED ELECTRONIC STRUCTURE OF Cu

V. N. Strocov, P. O. Nilsson, R. Claessen, F. Aryasetiawan, P. Blaha, J.-M. Themlin, G. Nicolay and S. Hüfner
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V. N. Strocov: Department of Physics, Chalmers University of Technology and Göteborg University, SE-41296 Göteborg, Sweden;
P. O. Nilsson: Department of Physics, Chalmers University of Technology and Göteborg University, SE-41296 Göteborg, Sweden
R. Claessen: Experimentalphysik II, Universität Augsburg, D-86135 Augsburg, Germany
F. Aryasetiawan: Research Institute for Computational Sciences, AIST, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan
P. Blaha: Institut für Physikalische und Theoretische Chemie, Technische Universität Wien, A-1060 Wien, Austria
J.-M. Themlin: Groupe de Physique des Etats Condensés, Faculté des Sciences de Luminy, Case 901, 13288 Marseille Cedex 9, France
G. Nicolay: Fachrichtung Experimentalphysik, Universität des Saarlandes, D-66041 Saarbrücken, Germany
S. Hüfner: Fachrichtung Experimentalphysik, Universität des Saarlandes, D-66041 Saarbrücken, Germany

Surface Review and Letters (SRL), 2002, vol. 09, issue 02, 1281-1285

Abstract: We report on self-energy effects in the electronic structure of Cu as a prototype weakly correlated system containing electron states of different localization. The unoccupied and occupied excited states were mapped fully resolved in the three-dimensionalkusing very-low-energy electron diffraction and photoemission, respectively. The self-energy corrections to the density-functional theory show distinct band- andk-dependence. These results are well described by quasiparticle GW calculations, especially for less localized states. We find correlation of the self-energy effects with spatial overlap of the one-electron wave function with the electron density, and elucidate the essential physics of this effect based on the electron-gas exchange correlation behavior.

Date: 2002
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DOI: 10.1142/S0218625X02003706

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