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@ARTICLE{Metzger:888203,
      author       = {Metzger, C. and Graus, M. and Grimm, M. and Zamborlini, G.
                      and Feyer, V. and Schwendt, M. and Lüftner, D. and
                      Puschnig, P. and Schöll, A. and Reinert, F.},
      title        = {{P}lane-wave final state for photoemission from nonplanar
                      molecules at a metal-organic interface},
      journal      = {Physical review / B},
      volume       = {101},
      number       = {16},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2020-04757},
      pages        = {165421},
      year         = {2020},
      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.},
      cin          = {PGI-6},
      ddc          = {530},
      cid          = {I:(DE-Juel1)PGI-6-20110106},
      pnm          = {522 - Controlling Spin-Based Phenomena (POF3-522)},
      pid          = {G:(DE-HGF)POF3-522},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000527122300006},
      doi          = {10.1103/PhysRevB.101.165421},
      url          = {https://juser.fz-juelich.de/record/888203},
}