Electronic structure at the C-60/metal interface: An angle-resolved photoemission and first-principles study

A. Tamai, A. P. Seitsonen, F. Baumberger, M. Hengsberger, Z. -X. Shen, T. Greber, J. Osterwalder

Research output: Contribution to journalArticlepeer-review

59 Citations (Scopus)

Abstract

High-resolution angle-resolved photoemission reveals a complex electronic structure at the interface between a highly ordered C-60 monolayer and the Cu(111) surface. The Shockley-type surface state of the clean substrate is pushed to higher energies by the overlayer and strongly couples to intramolecular C-60 phonons. A second interface state with a bandwidth spanning the entire HOMO-LUMO gap disperses with the periodicity of the C-60 superstructure. Density functional theory calculations indicate that this state is due to strong hybridization of molecular orbitals and substrate electronic states at the C-60/metal interface. This finding sheds light on the issue of self-doping in molecular layers on metal surfaces.

Original languageEnglish
Number of pages8
JournalPhysical Review. B, Condensed matter and materials physics
Volume77
DOIs
Publication statusPublished - Feb 2008

Keywords

  • DOPED C-60 MONOLAYERS
  • AUGMENTED-WAVE METHOD
  • METAL-SURFACES
  • BRILLOUIN-ZONE
  • SPECIAL POINTS
  • DIFFRACTION
  • MOLECULES
  • STATES

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