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@ARTICLE{Lftner:837519,
      author       = {Lüftner, Daniel and Weiß, Simon and Yang, Xiaosheng and
                      Hurdax, Philipp and Feyer, Vitaliy and Gottwald, Alexander
                      and Koller, Georg and Soubatch, Serguei and Puschnig, Peter
                      and Ramsey, Michael G. and Tautz, F. S.},
      title        = {{U}nderstanding the photoemission distribution of strongly
                      interacting two-dimensional overlayers},
      journal      = {Physical review / B},
      volume       = {96},
      number       = {12},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2017-06415},
      pages        = {125402},
      year         = {2017},
      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.},
      cin          = {PGI-3},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-3-20110106},
      pnm          = {143 - Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000409255700009},
      doi          = {10.1103/PhysRevB.96.125402},
      url          = {https://juser.fz-juelich.de/record/837519},
}