DFT calculations of the electronic structure of SnO

The electronic structures of Sn and SnOx layers adsorbed on the Pd(110) surface have been calculated by DFT. In agreement with available results of photoemission studies, it is found that the formation of the oxides induces pronounced changes in the related peak in the DOS. In particular, it is shown that the formation of SnO2 adsorbed layers leads to a transformation of the Sn 4d spin-orbit doublet into a quadruple peak, while for SnO the peak retains its shape. Due to this feature, the shape of the Sn 4d peak in photoemission spectra can serve as an unambiguous indicator of the degree of oxidation of Sn layers on transition metal surfaces