Charge transfer and polarization screening in organic thin films: phthalocyanines on Au(100).

Core hole screening effects at organic/metal interfaces were studied by core level X-ray photoemission spectroscopy (XPS), X-ray excited Auger electron spectroscopy (XAES), and valence band ultraviolet photoemission spectroscopy (UPS). The comparison of energetic shifts in XPS and XAES enables the estimation of electronic relaxation energy (screening ability). Magnesium phthalocyanine (MgPc) and zinc phthalocyanine (ZnPc) evaporated on single crystalline Au(100) were used as model molecules. Two different features in the Mg KLL spectra can be clearly separated for (sub-)monolayer coverages, while only minor changes of the shape of Mg 1s are observed. Applying a dielectric continuum model, the major screening mechanism cannot be described sufficiently by polarization screening due to mirror charges, significant contributions by charge transfer screening have to be considered. In contrast, small screening effects in the bulk material can be explained by surface polarization. [ABSTRACT FROM AUTHOR]