Influence of monolayer and bilayer Silica film on electronic structure of Fe-Phthalocyanine molecule*

In order to explore the effect that silica films have on the electronic properties of Iron-Phthalocyanine (FePc) molecule, we investigate the adsorption properties of FePc on several sites and report the electronic properties of the energetically preferable configurations and discuss charge density, charge distribution, charge transfer and changes in magnetization at each interface. We add oxygen atoms to Ru(0001) to make sure that we govern the atomic structure of the silica overlayers on the surface. We examine the adsorption of FePc molecule on monolayer and bilayer silica film supported by Ru(0001) surface using density of functional theory calculations and taking into consideration the self-consistent inclusion of van der Waals interaction.