Coverage-driven electronic decoupling of fe-phthalocyanine from a Ag(111) substrate
Coverage-dependent structural and electronic properties of Fe-phthalocyanine (FePc) molecules adsorbed on Ag(111) have been investigated by scanning tunneling microscopy/spectroscopy and density functional calculations. While spectra of single FePc molecules are dominated by a broad signature of Fe d orbitals, spectra of molecules in an ordered superstructure resolve spectroscopic contributions from individual dz2 and d xz/dyz orbitals. Calculations suggest that an increased molecule-surface distance in the superstructure and a change of the Ag(111) surface electronic structure cause the spectral changes, which are consistent with a partial electronic decoupling of the molecules from the substrate. A progressive evolution toward a gap around the Fermi level is observed for molecules on the first and second molecular layer. © 2011 American Chemical Society.
Gopakumar, TG; Brumme, T; Kröger, J; Toher, C; Cuniberti, G; Berndt, R
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