Angle-scanned photoemission spectrum from Cu(100): theory vs experiment

We have carried out simulations of the angle-scanned photoemission spectrum of Cu(I 0 0) within the framework of the one-step model at the He I energy of 21.2 eV for unpolarized photons. Comparison with the corresponding meas urements reveals differences with respect to the theoretical predictions of our state-of-the-art computations. The main discrepancy is associated with the details of the Shockley type surface state. localized around the (X) o ver bar symmetry point on Cu(1 0 0). which are not well described within ou r model. However. refinement of the potential in the surface region yields a good level of accord with the experimental results. (C) 2001 Elsevier Sci ence B.V. All rights reserved.