Journal Article

FZJ-2020-04757

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Plane-wave final state for photoemission from nonplanar molecules at a metal-organic interface

Metzger, C. (Corresponding author) ; Graus, M. ; Grimm, M. ; Zamborlini, G. ; Feyer, V.FZJ* ; Schwendt, M. ; Lüftner, D. ; Puschnig, P. ; Schöll, A.FZJ* ; Reinert, F.

2020
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/26287  doi:10.1103/PhysRevB.101.165421

Abstract: In recent years, the method of orbital tomography has been a useful tool for the analysis of a variety of molecular systems. However, the underlying plane-wave final state has been largely expected to be applicable to planar molecules only. Here, we demonstrate on photoemission data from the molecule C60 adsorbed on Ag(110) that it can indeed be a valid approximation for truly three-dimensional molecules at a metal-organic interface. A comparison of the experimental data supported by density functional theory (DFT) calculations of the full interface and simulations of the photoemission process with a more exact final state enables the determination of the adsorption geometry and orientation of the C60 molecules in a monolayer on the Ag(110) surface. Additionally, charge transfer into the molecules is used to confirm the lifting in degeneracy of the t1u molecular orbitals as predicted by DFT calculations.

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Contributing Institute(s):

1. Elektronische Eigenschaften (PGI-6)

Research Program(s):

1. 522 - Controlling Spin-Based Phenomena (POF3-522) (POF3-522)

Appears in the scientific report 2020

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Electronics and Telecommunications Collection ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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