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- W2562804966 abstract "In this paper we discuss how far a single-particle picture can be applied for the description of photoelectron spectroscopy of large $ensuremath{pi}$-conjugated molecules on metal substrates measured near a $K$ edge. In this context we focus on particular spectroscopic features, which only exist at the immediate interface and show a constant kinetic energy when the photon energy is varied immediately above a resonance. We demonstrate that the kinetic energy of these features can be calculated on the basis of a single-particle picture for molecule-metal interface systems without charge transfer in the ground state. Similar features are also observed in the case of molecule-metal interfaces which show an occupation of the formerly lowest unoccupied molecular orbital in direct photoelectron spectroscopy as a result of charge transfer in the ground state. However, an analogous calculation of the kinetic energy of these signals fails here, indicating that a single-particle picture is not sufficient for these systems, for which many-body effects have to be adequately taken into account." @default.
- W2562804966 created "2017-01-06" @default.
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- W2562804966 date "2016-01-04" @default.
- W2562804966 modified "2023-10-15" @default.
- W2562804966 title "Applicability of a single-particle picture for resonant photoelectron spectroscopy on molecule-metal interfaces" @default.
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- W2562804966 doi "https://doi.org/10.1103/physrevb.93.045101" @default.
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