Journal Article

FZJ-2017-06415

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Understanding the photoemission distribution of strongly interacting two-dimensional overlayers

Lüftner, D. ; Weiß, S. (Corresponding author)FZJ* ; Yang, X.FZJ* ; Hurdax, P. ; Feyer, V.FZJ* ; Gottwald, A. ; Koller, G. ; Soubatch, S. ; Puschnig, P. ; Ramsey, M. G. ; Tautz, F. S.FZJ*

2017
Inst. Woodbury, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/15246  doi:10.1103/PhysRevB.96.125402

Abstract: Photoemission tomography (PT), the analysis of the photoemission intensity distribution within the plane wave final-state approximation, is being established as a useful tool for extracting the electronic and geometric structure of weakly interacting organic overlayers. Here we present a simple method for extending PT, which until now has been based on the calculations of isolated molecules. By including the substrate and a damped plane-wave final state, we are able to simulate the photoemission intensity distribution of two-dimensional molecular overlayers with both strong intermolecular and molecule-substrate interactions, here demonstrated for the model system 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) on Cu(100). It is shown that the interaction and hybridization of the lowest unoccupied molecular orbital of PTCDA with substrate states leads to its occupation and the formation of a strongly dispersing intermolecular band, whose experimental magnitude of 1.1 eV and k-space periodicity is well reproduced theoretically.

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Contributing Institute(s):

1. Funktionale Nanostrukturen an Oberflächen (PGI-3)

Research Program(s):

1. 143 - Controlling Configuration-Based Phenomena (POF3-143) (POF3-143)

Appears in the scientific report 2017

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

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