TY  - JOUR
AU  - Egger, Larissa
AU  - Kollmann, Bernd
AU  - Hurdax, Philipp
AU  - Lüftner, Daniel
AU  - Yang, Xiaosheng
AU  - Weiss, Simon
AU  - Gottwald, Alexander
AU  - Richter, Mathias
AU  - Koller, Georg
AU  - Soubatch, Serguei
AU  - Tautz, F Stefan
AU  - Puschnig, Peter
AU  - Ramsey, Michael G
TI  - Can photoemission tomography be useful for small, strongly-interacting adsorbate systems?
JO  - New journal of physics
VL  - 21
IS  - 4
SN  - 1367-2630
CY  - [London]
PB  - IOP73379
M1  - FZJ-2019-02507
SP  - 043003 -
PY  - 2019
AB  - Molecular orbital tomography, also termed photoemission tomography, which considers the final state as a simple plane wave, has been very successful in describing the photoemisson distribution of large adsorbates on noble metal surfaces. Here, following a suggestion by Bradshaw and Woodruff (2015 New J. Phys. 17 013033), we consider a small and strongly-interacting system, benzene adsorbed on palladium (110), to consider the extent of the problems that can arise with the final state simplification. Our angle-resolved photoemission experiments, supported by density functional theory calculations, substantiate and refine the previously determined adsorption geometry and reveal an energetic splitting of the frontier π-orbital due to a symmetry breaking which has remained unnoticed before. We find that, despite the small size of benzene and the comparably strong interaction with palladium, the overall appearance of the photoemission angular distributions can basically be understood within a plane wave final state approximation and yields a deeper understanding of the electronic structure of the interface. There are, however, noticeable deviations between measured and simulated angular patterns which we ascribe to molecule-substrate interactions and effects beyond a plane-wave final state description.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000463553400003
DO  - DOI:10.1088/1367-2630/ab0781
UR  - https://juser.fz-juelich.de/record/862153
ER  -