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@ARTICLE{Mlynczak:889937,
      author       = {Mlynczak, Ewa and Aguilera, Irene and Gospodaric, Pika and
                      Heider, T. and Jugovac, M. and Zamborlini, G. and Tusche, C.
                      and Suga, Shigemasa and Feyer, V. and Blügel, S. and
                      Plucinski, L. and Schneider, C. M.},
      title        = {{S}pin-polarized quantized electronic structure of
                      {F}e(001) with symmetry breaking due to the magnetization
                      direction},
      journal      = {Physical review / B},
      volume       = {103},
      number       = {3},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2021-00543},
      pages        = {035134},
      year         = {2021},
      abstract     = {Quantum well states formed by d electrons in metallic thin
                      films are responsible for many fundamental phenomena that
                      oscillate with layer thickness, such as magnetic anisotropy
                      or magnetoresistance. Using momentum microscopy and
                      angle-resolved photoemission, we mapped in unprecedented
                      detail the quantized electronic states of Fe(001) in a broad
                      photon energy range starting from soft x-ray (160 eV) down
                      to vacuum ultraviolet (8.4 eV). We show that it is possible
                      to simulate the experimentally observed photoemission
                      spectra with high accuracy by using the ab initio electronic
                      bulk band structure as the initial state, taking into
                      account that free electron final electronic states are
                      intrinsically broadened along the wave vector direction
                      perpendicular to the sample surface. To simulate the
                      thin-film case, we take into account a subset of the initial
                      electronic states, which results in the reproduction of the
                      quantized electronic structure observed in the experiment.
                      In addition, we present results of the spin-sensitive
                      measurements, which are confronted with the photoemission
                      simulation that takes into account the spin degree of
                      freedom. We demonstrate electronic states that can be
                      responsible for the oscillations of the magnetic anisotropy
                      in Fe(001) thin films with periods of about 5 and 9
                      monolayers. We show that these quantum well states change
                      position in reciprocal space depending on the magnetization
                      direction. Our photoemission simulation reproduces this
                      effect, which highlights its origin in the relativistic bulk
                      electronic band structure of bcc Fe. We also observed
                      magnetization-dependent spin-orbit gaps with the symmetry
                      lower than the bulk symmetry. We believe that the same
                      method of simulating photoemission spectra might facilitate
                      interpretation of the photoemission intensities measured for
                      other three-dimensional materials, especially when the
                      spin-polarized quantized electronic states are considered.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC / PGI-6 / IEK-5},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$ /
                      I:(DE-Juel1)PGI-6-20110106 / I:(DE-Juel1)IEK-5-20101013},
      pnm          = {5211 - Topological Matter (POF4-521)},
      pid          = {G:(DE-HGF)POF4-5211},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000609013000002},
      doi          = {10.1103/PhysRevB.103.035134},
      url          = {https://juser.fz-juelich.de/record/889937},
}