Geometric and Electronic Structures at the Interface between Iron Phthalocyanine and Si (110)

The geometric and electronic structures at the interface between iron phthalocyanine (FePc) and Si(110) surface are studied by ultraviolet photoelectron spectroscopy and density functional theory (DFT) calculation. After FePc is deposited on Si(110), the emission features are located at 2.56, 4.90, 7.90, 10.88 eV below the Fermi level for monolayer and 2.73, 4.90, 7.74, 10.52 eV below the Fermi level for multilayer. At the coverage of 1 ML, FePc molecules are adsorbed on the bridge site in a flat-lying geometry with a 2.17 A separation between the molecule and the substrate. The molecular plane is bent due to the interaction between the adsorbate and the substrate.