BULK AND SURFACE ELECTRONIC STATES OF ORDERED Cu3Au(001): AN ANGLE-RESOLVED PHOTOEMISSION INVESTIGATION

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Abstract
We have performed an angle-resolved ultraviolet photoemission spectroscopy (ARUPS) investigation of ordered Cu3Au(001) at room temperature using He resonance and synchrotron radiation. The positions of upper Cu-like bulk bands near the center Γ of the bulk Brillouin zone (BZ) and the dispersion of the upper sp band along the A line have been determined using bulk-sensitive photon energies 10 eV≤hν≥15 eV. Except for a downward shift, the calculated bulk bands are in excellent agreement with experiment. Around the centers of the surface BZ, we have identified three new surface states in the energy region of the Au-like states and several surface-sensitive features in the Cu-like region below the known surface state on top of the Cu-like bulk d bands. These states strongly contribute to the ARUPS spectra for hν≥20 eV. The wealth of surface features found is in overall agreement with a recent surface electronic structure calculation [S. Halilov, H. Gollisch, E. Tamura and R. Feder, J. Phys.: Condens. Matter5, 4711 (1993)]. More detailed information is obtained by comparing the experimental spectra with theoretical ones calculated by a relativistic one-step model formalism.

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