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Singularities in core-level spectra near metallic surfaces

Calculations of the screening shift and dynamical singularity index of the structureless core hole placed near and inside the metallic slab are presented, where the screening mechanism is described using the full quantum-mechanical LDA-RPA response function. Core hole screening shifts show oscillations which are compared with the experimental results. Spatial dependence of the static singularity index, beside experimentally observed enhancement at the surface, shows some new features (bulk oscillations) which were not yet experimentally observed. The dynamical singularity index is used to calculate complete core hole spectrum, including singular lineshapes and bulk and surface plasmon losses, and the results explain very well some observed features in the experimental photoemission spectra.

X-ray spectroscopy; DS-line shape; core level spectra; electron-hole excitations

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