Abstract
The authors show that using the muffin-tin approximation it is possible to include band-structure effects into the calculation of XPS core line asymmetries. Without any additional assumptions, the results of Nozieres and de Dominicis (1969) remain valid, if the usual free electron scattering phase shifts are replaced by appropriately defined effective phase shifts. It is shown how they can be calculated, using bandstructure data and multiple scattering formalism. Effective phase shifts and asymmetry indices are calculated for Li, Na, Al, Cu, and Ag. The results show the importance of bandstructure contributions, although drastic effects cannot be expected due to the crucial role of the Friedel sum rule.
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