Abstract
Angle-resolved photo-emission spectra for Cu(001)c(2*2)-Cl were obtained by synchrotron radiation between 13 and 45 eV, for two angles of incidence, in order to identify the symmetry types of the initial states. To interpret the spectra in detail, a layer KKR formalism was used to calculate, on the footing of the same effective potential, the photo-emission, layer-projected density of states and bulk band structure. From the good overall agreement between theory and experiment, the authors infer the existence, symmetry and localisation of four adsorbate-induced p/d hybridisation surface states. Furthermore, bulk inter-band transitions of two kinds are identified: (i) those already found on clean Cu(001) and (ii) adsorbate-induced 'surface Umklapp' in the initial state. The c(2*2) adsorbate geometry is impressed on the electron density of the second substrate layer.
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