Ultrahigh-pressure form of Si O2 glass with dense pyrite-type crystalline homology

M. Murakami*, S. Kohara, N. Kitamura, J. Akola, H. Inoue, A. Hirata, Y. Hiraoka, Y. Onodera, I. Obayashi, J. Kalikka, N. Hirao, T. Musso, A. S. Foster, Y. Idemoto, O. Sakata, Y. Ohishi

*この研究の対応する著者

研究成果: Article査読

16 被引用数 (Scopus)

抄録

High-pressure synthesis of denser glass has been a longstanding interest in condensed-matter physics and materials science because of its potentially broad industrial application. Nevertheless, understanding its nature under extreme pressures has yet to be clarified due to experimental and theoretical challenges. Here we reveal the formation of OSi4 tetraclusters associated with that of SiO7 polyhedra in SiO2 glass under ultrahigh pressures to 200 gigapascal confirmed both experimentally and theoretically. Persistent homology analyses with molecular dynamics simulations found increased packing fraction of atoms whose topological diagram at ultrahigh pressures is similar to a pyrite-type crystalline phase, although the formation of tetraclusters is prohibited in the crystalline phase. This critical difference would be caused by the potential structural tolerance in the glass for distortion of oxygen clusters. Furthermore, an expanded electronic band gap demonstrates that chemical bonds survive at ultrahigh pressure. This opens up the synthesis of topologically disordered dense oxide glasses.

本文言語English
論文番号045153
ジャーナルPhysical Review B
99
4
DOI
出版ステータスPublished - 2019 1 29

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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