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@INPROCEEDINGS{Schnohr:191841,
      author       = {Schnohr, Claudia},
      title        = {{C}halcopyrite semiconductors: {A}tomic-scale structure and
                      band gap bowing},
      school       = {University of Jena},
      reportid     = {PUBDB-2014-04029},
      year         = {2014},
      abstract     = {Cu(In,Ga)Se2 is one of the most promising material systems
                      for thin film photovoltaics with record efficiencies above
                      $20\%$ on laboratory scale. The material crystallizes in the
                      chalcopyrite type crystal structure where the anion is
                      typically displaced from its ideal lattice site due to the
                      different properties of the neighbouring cations. This
                      subtle structural variation has a strong influence on the
                      energy band gap. Therefore, we have studied the atomic-scale
                      structure of Cu(In,Ga)Se2 as a function of composition using
                      extended X-ray absorption fine structure spectroscopy and
                      valence force field simulations. The local atomic
                      arrangements are found to deviate significantly from the
                      long-range crystallographic structure and the material is
                      characterised by structural inhomogeneity on the atomic
                      scale. Regarding the anion position, two different
                      displacement mechanisms have to be distinguished both of
                      which influence the nonlinear change of the band gap with
                      material composition. Similar results were also obtained for
                      Cu(In,Ga)S2 indicating that our findings represent general
                      features of these highly relevant yet complex chalcopyrite
                      semiconductors.},
      month         = {Mar},
      date          = {2014-03-31},
      organization  = {2014 Spring Meeting of the Deutsche
                       Physikalische Gesellschaft (German
                       Physical Society), Dresden (Germany),
                       31 Mar 2014 - 4 Apr 2014},
      subtyp        = {Invited},
      cin          = {DOOR},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {DORIS Beamline C (POF2-54G13) / FS-Proposal: I-20110135
                      (I-20110135) / FS-Proposal: I-20100027 (I-20100027)},
      pid          = {G:(DE-H253)POF2-C-20130405 / G:(DE-H253)I-20110135 /
                      G:(DE-H253)I-20100027},
      experiment   = {EXP:(DE-H253)D-C-20150101},
      typ          = {PUB:(DE-HGF)6},
      url          = {https://bib-pubdb1.desy.de/record/191841},
}