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Investigation of microscopic mechanism of ferroelectricity in oxide superionic conductor by quantum beam

Research Project

Project/Area Number 17K14135
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Quantum beam science
Research Institution一般財団法人総合科学研究機構(総合科学研究センター(総合科学研究室)及び中性子科学センター(研究開発 (2018)
High Energy Accelerator Research Organization (2017)

Principal Investigator

Ishikawa Yoshihisa  一般財団法人総合科学研究機構(総合科学研究センター(総合科学研究室)及び中性子科学センター(研究開発, 中性子科学センター, 研究員 (30772579)

Project Period (FY) 2017-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2018: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2017: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords結晶構造解析 / 中性子回折 / イオン導電体 / 強誘電体 / 超イオン伝導体 / イオン伝導体 / X線回折
Outline of Final Research Achievements

AMOXO4 (A: Alkali metal, M = Ti, Zn, X = P, As), which represented substance of KTiOPO4, is a substance having both characteristics between super ion conductivity and ferroelectricity. In the case of both existence of electric characteristics, the conventional crystal structure analysis methods have remained the problem determining the ordering process of spontaneous polarization in the ion diffusion path.
In this study, we newly developed the "X-N" electrostatic potential MEM that applied the Mott-Bethe method to the maximum entropy method. Based on these methods, neutron powder diffraction at low temperature was performed with J-PARC MLF SPICA. As a result, we could catch remarkable change of atomic displacement parameters from 200 K to K + cation.

Academic Significance and Societal Importance of the Research Achievements

本研究で開発した"X-N"静電ポテンシャルMEM法は, 中性子回折に基づく実験結果を導入することにより, 点電荷の仮定を配した解析が可能となる. このような計算手法は過去に報告例がなく, 本研究成果は量子ビーム科学及び回折結晶学の大きな貢献につながることが期待される. これら手法を踏まえた最大エントロピー法アルゴリズムについて, Rietveld解析ソフトウェアZ-Codeに組み込まれており, ソフトウェアの公開を通して科学技術分野に広く貢献すると考えられる.

Report

(3 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • Research Products

    (2 results)

All 2018 2017

All Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results) Presentation (1 results) (of which Int'l Joint Research: 1 results)

  • [Journal Article] Z-MEM , Maximum Entropy Method software for electron/nuclear density distribution in Z-Code2018

    • Author(s)
      Ishikawa Yoshihisa、Zhang Junrong、Kiyanagi Ryoji、Yonemura Masao、Matsukawa Takeshi、Hoshikawa Akinori、Ishigaki Toru、Torii Shuki、Oishi-Tomiyasu Ryoko、Kamiyama Takashi
    • Journal Title

      Physica B: Condensed Matter

      Volume: 印刷中 Pages: 1-4

    • DOI

      10.1016/j.physb.2018.03.034

    • Related Report
      2018 Annual Research Report 2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Z-MEM , Maximum Entropy Method software for electron/nuclear density distribution in Z-Code2017

    • Author(s)
      Ishikawa Yoshihisa、Zhang Junrong、Kiyanagi Ryoji、Yonemura Masao、Matsukawa Takeshi、Hoshikawa Akinori、Ishigaki Toru、Torii Shuki、Oishi-Tomiyasu Ryoko、Kamiyama Takashi
    • Organizer
      International Conference on Neutron Scattering
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research

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Published: 2017-04-28   Modified: 2020-03-30  

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