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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},
}