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@ARTICLE{Kohara:201509,
      author       = {Kohara, Shinji and Akola, Jaakko and Patrikeev, Leonid and
                      Ropo, Matti and Ohara, Koji and Itou, Masayoshi and
                      Fujiwara, Akihiko and Yahiro, Jumpei and Okada, Junpei T.
                      and Ishikawa, Takehiko and Mizuno, Akitoshi and Masuno,
                      Atsunobu and Watanabe, Yasuhiro and Usuki, Takeshi},
      title        = {{A}tomic and electronic structures of an extremely fragile
                      liquid},
      journal      = {Nature Communications},
      volume       = {5},
      issn         = {2041-1723},
      address      = {London},
      publisher    = {Nature Publishing Group},
      reportid     = {FZJ-2015-03804},
      pages        = {5892},
      year         = {2014},
      abstract     = {The structure of high-temperature liquids is an important
                      topic for understanding the fragility of liquids. Here we
                      report the structure of a high-temperature non-glass-forming
                      oxide liquid, ​ZrO2, at an atomistic and electronic level.
                      The Bhatia–Thornton number–number structure factor of
                      ​ZrO2 does not show a first sharp diffraction peak. The
                      atomic structure comprises ZrO5, ZrO6 and ZrO7 polyhedra
                      with a significant contribution of edge sharing of oxygen in
                      addition to corner sharing. The variety of large oxygen
                      coordination and polyhedral connections with short Zr–O
                      bond lifetimes, induced by the relatively large ionic radius
                      of zirconium, disturbs the evolution of intermediate-range
                      ordering, which leads to a reduced electronic band gap and
                      increased delocalization in the ionic Zr–O bonding. The
                      details of the chemical bonding explain the extremely low
                      viscosity of the liquid and the absence of a first sharp
                      diffraction peak, and indicate that liquid ​ZrO2 is an
                      extremely fragile liquid.},
      cin          = {IAS-1 / PGI-1},
      ddc          = {500},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106},
      pnm          = {422 - Spin-based and quantum information (POF2-422)},
      pid          = {G:(DE-HGF)POF2-422},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000347686900001},
      pubmed       = {pmid:25520236},
      doi          = {10.1038/ncomms6892},
      url          = {https://juser.fz-juelich.de/record/201509},
}