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@ARTICLE{Egger:862153,
      author       = {Egger, Larissa and Kollmann, Bernd and Hurdax, Philipp and
                      Lüftner, Daniel and Yang, Xiaosheng and Weiss, Simon and
                      Gottwald, Alexander and Richter, Mathias and Koller, Georg
                      and Soubatch, Serguei and Tautz, F Stefan and Puschnig,
                      Peter and Ramsey, Michael G},
      title        = {{C}an photoemission tomography be useful for small,
                      strongly-interacting adsorbate systems?},
      journal      = {New journal of physics},
      volume       = {21},
      number       = {4},
      issn         = {1367-2630},
      address      = {[London]},
      publisher    = {IOP73379},
      reportid     = {FZJ-2019-02507},
      pages        = {043003 -},
      year         = {2019},
      abstract     = {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.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {141 - Controlling Electron Charge-Based Phenomena
                      (POF3-141)},
      pid          = {G:(DE-HGF)POF3-141},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000463553400003},
      doi          = {10.1088/1367-2630/ab0781},
      url          = {https://juser.fz-juelich.de/record/862153},
}