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

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

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
Article number045153
JournalPhysical Review B
Volume99
Issue number4
DOIs
Publication statusPublished - 2019 Jan 29

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Pyrites
homology
pyrites
Crystalline materials
Glass
glass
condensed matter physics
Condensed matter physics
synthesis
materials science
chemical bonds
polyhedrons
Chemical bonds
Materials science
Oxides
diagrams
Industrial applications
Molecular dynamics
molecular dynamics
Energy gap

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Murakami, M., Kohara, S., Kitamura, N., Akola, J., Inoue, H., Hirata, A., ... Ohishi, Y. (2019). Ultrahigh-pressure form of Si O2 glass with dense pyrite-type crystalline homology. Physical Review B, 99(4), [045153]. https://doi.org/10.1103/PhysRevB.99.045153

Ultrahigh-pressure form of Si O2 glass with dense pyrite-type crystalline homology. / Murakami, M.; Kohara, S.; Kitamura, N.; Akola, J.; Inoue, H.; Hirata, Akihiko; Hiraoka, Y.; Onodera, Y.; Obayashi, I.; Kalikka, J.; Hirao, N.; Musso, T.; Foster, A. S.; Idemoto, Y.; Sakata, O.; Ohishi, Y.

In: Physical Review B, Vol. 99, No. 4, 045153, 29.01.2019.

Research output: Contribution to journalArticle

Murakami, M, Kohara, S, Kitamura, N, Akola, J, Inoue, H, Hirata, A, Hiraoka, Y, Onodera, Y, Obayashi, I, Kalikka, J, Hirao, N, Musso, T, Foster, AS, Idemoto, Y, Sakata, O & Ohishi, Y 2019, 'Ultrahigh-pressure form of Si O2 glass with dense pyrite-type crystalline homology', Physical Review B, vol. 99, no. 4, 045153. https://doi.org/10.1103/PhysRevB.99.045153
Murakami, M. ; Kohara, S. ; Kitamura, N. ; Akola, J. ; Inoue, H. ; Hirata, Akihiko ; Hiraoka, Y. ; Onodera, Y. ; Obayashi, I. ; Kalikka, J. ; Hirao, N. ; Musso, T. ; Foster, A. S. ; Idemoto, Y. ; Sakata, O. ; Ohishi, Y. / Ultrahigh-pressure form of Si O2 glass with dense pyrite-type crystalline homology. In: Physical Review B. 2019 ; Vol. 99, No. 4.
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