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@ARTICLE{Aeberhard:861505,
      author       = {Aeberhard, Urs},
      title        = {{C}hallenges in the {NEGF} {S}imulation of
                      {Q}uantum‐{W}ell {P}hotovoltaics {P}osed by
                      {N}on‐{L}ocality and {L}ocalization},
      journal      = {Physica status solidi / B Basic research B},
      volume       = {256},
      number       = {7},
      issn         = {1521-3951},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2019-01963},
      pages        = {1800500 -},
      year         = {2019},
      abstract     = {In this paper, the implications of non‐locality and
                      localization for the implementation and performance of
                      quantum‐opto‐electronic device simulators based on the
                      non‐equilibrium Green's function formalism are considered.
                      It is shown that in the case of electron–photon
                      interaction enabling interband transitions, restriction of
                      the non‐locality range (the spatial distance over which
                      the coupling acts) not only leads to an underestimation of
                      the coupling strength as for intraband electron‐phonon
                      scattering, but also to an inaccurate spectral shape of the
                      response functions and to the violation of selection rules
                      applying to the scattering rates. On the other hand,
                      localization of electronic states (the restriction of finite
                      probability density to a small spatial region) induced by
                      discontinuities and fluctuations in the band profile has a
                      detrimental impact on the speed of convergence of the
                      self‐consistent evaluation of Green's functions and
                      scattering self‐energies, as illustrated by the example of
                      photocarrier extraction from different quantum well
                      configurations.},
      cin          = {IEK-5 / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-5-20101013 / $I:(DE-82)080012_20140620$},
      pnm          = {121 - Solar cells of the next generation (POF3-121) /
                      Ab-initio description of charge carrier dynamics at
                      defective interfaces in solar cells $(jiek50_20171101)$},
      pid          = {G:(DE-HGF)POF3-121 / $G:(DE-Juel1)jiek50_20171101$},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000477754800028},
      doi          = {10.1002/pssb.201800500},
      url          = {https://juser.fz-juelich.de/record/861505},
}