論文

査読有り
2020年6月

Very sharp diffraction peak in nonglass-forming liquid with the formation of distorted tetraclusters

NPG ASIA MATERIALS
  • Chihiro Koyama
  • Shuta Tahara
  • Shinji Kohara
  • Yohei Onodera
  • Didrik R. Smabraten
  • Sverre M. Selbach
  • Jaakko Akola
  • Takehiko Ishikawa
  • Atsunobu Masuno
  • Akitoshi Mizuno
  • Junpei T. Okada
  • Yuki Watanabe
  • Yui Nakata
  • Koji Ohara
  • Haruka Tamaru
  • Hirohisa Oda
  • Ippei Obayashi
  • Yasuyuki Hiraoka
  • Osami Sakata
  • 全て表示

12
1
開始ページ
43-1
終了ページ
43-11
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1038/s41427-020-0220-0
出版者・発行元
NATURE PUBLISHING GROUP

Understanding the liquid structure provides information that is crucial to uncovering the nature of the glass-liquid transition. We apply an aerodynamic levitation technique and high-energy X-rays to liquid (l)-Er(2)O(3)to discover its structure. The sample densities are measured by electrostatic levitation at the International Space Station. Liquid Er(2)O(3)displays a very sharp diffraction peak (principal peak). Applying a combined reverse Monte Carlo - molecular dynamics approach, the simulations produce an Er-O coordination number of 6.1, which is comparable to that of another nonglass-forming liquid,l-ZrO2. The atomic structure ofl-Er(2)O(3)comprises distorted OEr4 tetraclusters in nearly linear arrangements, as manifested by a prominent peak observed at similar to 180 degrees in the Er-O-Er bond angle distribution. This structural feature gives rise to long periodicity corresponding to the sharp principal peak in the X-ray diffraction data. A persistent homology analysis suggests thatl-Er(2)O(3)is homologically similar to the crystalline phase. Moreover, electronic structure calculations show thatl-Er(2)O(3)has a modest band gap of 0.6 eV that is significantly reduced from the crystalline phase due to the tetracluster distortions. The estimated viscosity is very low above the melting point forl-ZrO2, and the material can be described as an extremely fragile liquid.

リンク情報
DOI
https://doi.org/10.1038/s41427-020-0220-0
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000540154700001&DestApp=WOS_CPL
ID情報
  • DOI : 10.1038/s41427-020-0220-0
  • ISSN : 1884-4049
  • eISSN : 1884-4057
  • Web of Science ID : WOS:000540154700001

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