Impurity model calculations for Mn 2p photoemission spectra of ultrathin Mn films on [formula omitted

Abstract

We report impurity model calculations for the Mn 2p photoemission spectra of adsorbed Mn structures on Ag(0 0 1) . We take account of intra-atomic Coulomb and spin–orbit interaction; charge fluctuations due to the hybridisation of the Mn 3d-orbitals with the nearest-neighbour Mn 3d and Ag 4d-orbitals are modelled in a tight-binding scheme. The calculated spectra present a complex structure with atomic multiplets and charge transfer satellites. With increasing coordination number or decreasing atomic volume, a spectral weight transfer from poorly to well-screened final states occurs. The results are in good agreement with recent experiments.