Angle-scanned photoemission spectrum from Cu(1 0 0): theory vs experiment

We have carried out simulations of the angle-scanned photoemission spectrum of Cu(1 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 measurements 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 symmetry point on Cu(1 0 0), which are not well described within our model. However, refinement of the potential in the surface region yields a good level of accord with the experimental results.