Electronic structure of tetraphenylporphyrin layers on Ag(100)

Andrej Classen, Rebecca Pöschel, Gianluca Di Filippo, Thomas Fauster, Osman Barış Malcıoğlu, and Michel Bockstedte
Phys. Rev. B 95, 115414 – Published 10 March 2017
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Abstract

The electronic structure of Mg and free-base tetraphenylporphyrin films on Ag(100) is investigated by one- and two-photon photoemission in combination with electronic structure calculations using density functional theory and the self-consistent GW0 method. We determine the two highest occupied and the nearly degenerate lowest unoccupied molecular orbitals. Higher unoccupied states are seen in an enhanced emission as a final-state effect. For photon energies close to the prominent absorption of the Soret band we observe a strong electron emission attributed to the break up of the bound electron-hole pairs in the S2 excited state. The experimental results on the occupied and unoccupied energy levels for the molecular films on Ag(100) nicely agree with calculated quasiparticle energies and experiments of the molecules in the gas phase.

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  • Received 2 December 2016
  • Revised 3 February 2017

DOI:https://doi.org/10.1103/PhysRevB.95.115414

©2017 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Andrej Classen, Rebecca Pöschel, Gianluca Di Filippo, and Thomas Fauster

  • Lehrstuhl für Festkörperphysik, Universität Erlangen-Nürnberg, D-91058 Erlangen, Germany

Osman Barış Malcıoğlu and Michel Bockstedte

  • Lehrstuhl für Theoretische Festkörperphysik, Universität Erlangen-Nürnberg, D-91058 Erlangen, Germany

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Issue

Vol. 95, Iss. 11 — 15 March 2017

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