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@ARTICLE{Kpers:867955,
      author       = {Küpers, Michael and Konze, Philipp M. and Meledin,
                      Alexander and Mayer, Joachim and Englert, Ulli and Wuttig,
                      Matthias and Dronskowski, Richard},
      title        = {{C}ontrolled {C}rystal {G}rowth of {I}ndium {S}elenide,
                      {I}n 2 {S}e 3 , and the {C}rystal {S}tructures of α-{I}n 2
                      {S}e 3},
      journal      = {Inorganic chemistry},
      volume       = {57},
      number       = {18},
      issn         = {1520-510X},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2019-06548},
      pages        = {11775 - 11781},
      year         = {2018},
      abstract     = {In2Se3 has been known for over 100 years and recently
                      attracted interest as a promising candidate for a variety of
                      applications, such as solar cells, photodiodes, and
                      phase-change memories. Despite the broad concern for
                      possible uses, its polymorphism and structure are poorly
                      characterized. By combining X-ray diffraction, transmission
                      electron microscopy, and quantum-chemical calculations, we
                      present here the crystal structures of two layered
                      room-temperature polytypes: 3R and 2H In2Se3. Both
                      polymorphs are stacking variants of the same
                      Se–In–Se–In–Se layers comprising two coordination
                      environments for the In atoms, one tetrahedral and one
                      octahedral. By using chemical-bonding analysis, we look at
                      the different In positions in α-In2Se3 and compare them to
                      those in the metastable β-phase.},
      cin          = {PGI-10 / JARA-HPC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-10-20170113 / $I:(DE-82)080012_20140620$},
      pnm          = {521 - Controlling Electron Charge-Based Phenomena
                      (POF3-521) / Quantum chemistry of functional chalcogenide
                      for phase-change memories and other applications
                      $(jara0033_20171101)$},
      pid          = {G:(DE-HGF)POF3-521 / $G:(DE-Juel1)jara0033_20171101$},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30153016},
      UT           = {WOS:000445165400054},
      doi          = {10.1021/acs.inorgchem.8b01950},
      url          = {https://juser.fz-juelich.de/record/867955},
}