The electronic structure of ordered Cu3Au(001) |
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| Authors: | G S Sohal C Carbone E Kisker S Krummacher A Fattah W Uelhoff R C Albers P Weinberger |
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| Institution: | (1) Institut für Festkörperforschung, Kernforschungsanlage (KFA), Postfach 1913, D-5170 Jülich, Germany;(2) Los Alamos National Laboratory, 87545 Los Alamos, New Mexico, USA;(3) Institut für Technische Elektrochemie, Technische Universität Wien, A-1040 Wien, Austria;(4) Present address: Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, D-1000 Berlin 33, Germany;(5) Present address: Institut für Angewandte Physik, Universität Düsseldorf, Universitätsstrasse 1, D-4000 Düsseldorf, FRG |
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| Abstract: | The electronic structure of the (001) face of ordered Cu3Au was studied using synchrotron radiation at BESSY, in the photon energy range 22–80 eV. The Cu 3d-derived bands in Cu3Au look like the foldedd-bands of fcc Cu metal. Three Au 5d-derived bands were observed at 5.0, 6.1 and 7.0 eV below the Fermi level, which showed no dispersion with change in photon energy. The Cu 3d- and the Au 5d-derived bands are found to be separated in energy. We have calculated self-consistent energy bands along the (001) direction using the fully relativistic LMTO method. Comparison of these bands with those experimentally determined shows good agreement. From the calculated bands along  –X the direction dependent densities of states were determined, which give a consistent account for the non-dispersive Au-bands. |
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