August 30, 2021 to September 3, 2021
University of Innsbruck
Europe/Zurich timezone

【225】Lippmann-Schwinger Description of the Final State in Photoemission Simulations

Sep 1, 2021, 3:00 PM
Room C

Room C

Talk Surfaces, Interfaces and Thin Films Surfaces, Interfaces and Thin Films


Mathias Schwendt (University of Graz)


Photoemission Tomography has been widely used to study organic molecules adsorbed on metal substrates. Traditionally, the final state was taken as a plane wave in numerical simulations. This formalism has been very successful but discrepancies are also clearly observable, e.g. in the circular dichroism and the photon-energy dependence of the photocurrent.
In this work the Lippmann-Schwinger equation is used for a more accurate description of the final state.
After presenting the theoretical formalism and technical details about its implementation into an ab-initio framework, results are presented for some prototypical small molecule systems including CO and benzene which highlight important differences compared to a plane wave final state description.

Primary authors

Mathias Schwendt (University of Graz) Peter Puschnig (University of Graz)

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