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Exploration and crystallochemical tuning of novel antiferroelectric layered oxides through a coupling of theory and experiments

Research Project

Project/Area Number 18H01892
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 30010:Crystal engineering-related
Research InstitutionKyushu University

Principal Investigator

Akamatsu Hirofumi  九州大学, 工学研究院, 准教授 (10776537)

Project Period (FY) 2018-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥17,420,000 (Direct Cost: ¥13,400,000、Indirect Cost: ¥4,020,000)
Fiscal Year 2021: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Fiscal Year 2020: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2019: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2018: ¥7,540,000 (Direct Cost: ¥5,800,000、Indirect Cost: ¥1,740,000)
Keywords反強誘電体 / 層状ペロブスカイト / 第一原理計算 / セラミックス / 結晶化学 / 層状ペロブスカイト酸化物 / 層状物質 / ペロブスカイト
Outline of Final Research Achievements

In this study, novel layered perovskite ferroelectrics and antiferroelectrics were discovered. Dion-Jacobson-type layered perovskites CsNdNb2O7 and RbNdNb2O7 exhibit ferroelectricity at room temperature. CsNdNb2O7 exhibits a paraelectric-ferroelectric phase transition at 625 K. On the other hand, the Ruddlesden-Popper type layered perovskite Li2SrNb2O7 was found to exhibit antiferroelectricity below 200 K. The main difference between these layered perovskites is the interlayer structure, suggesting that their dielectric properties can be controlled by tuning the interlayer structures.

Academic Significance and Societal Importance of the Research Achievements

本研究では、新規な層状ペロブスカイト強誘電体および反強誘電体を発見した。これらの誘電性は、従来型のペロブスカイトとは異なる機構に基づく。反強誘電体は、パワーエレクトロニクスにおいて不可欠である高電場下での誘電率、電気エネルギー貯蔵、あるいは電気熱量効果などにおいて、強誘電体よりも優れた特性を示し得る。強誘電体では高電場下において誘電率が低下する。一方で、反強誘電体では、極性状態に転移する電場近傍で誘電率が非常に大きくなる。また、反強誘電体の電気エネルギー貯蔵量は、強誘電体に比べて約2倍の大きさになる。本研究で得られた反強誘電体の設計指針は、新規な反強誘電体の開発に寄与することが期待される。

Report

(5 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • Research Products

    (27 results)

All 2021 2020 2019 2018 Other

All Int'l Joint Research (4 results) Journal Article (6 results) (of which Int'l Joint Research: 3 results,  Peer Reviewed: 6 results) Presentation (16 results) (of which Int'l Joint Research: 4 results,  Invited: 3 results) Remarks (1 results)

  • [Int'l Joint Research] Pennsylvania State University/Northwestern University(米国)

    • Related Report
      2019 Annual Research Report
  • [Int'l Joint Research] Pennsylvania State University/Northwestern University(米国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] ISIS Pulsed Neutron and Muon Source(英国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Univ Rennes(フランス)

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Electronic Origin of Non-Zone-Center Phonon Condensation: Octahedral Rotation as a Case Study2021

    • Author(s)
      Yoshida Suguru、Akamatsu Hirofumi、Hayashi Katsuro
    • Journal Title

      Physical Review Letters

      Volume: 127 Issue: 21 Pages: 215701-215701

    • DOI

      10.1103/physrevlett.127.215701

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ferroelectricity of Dion-Jacobson layered perovskites CsNdNb2O7 and RbNdNb2O72020

    • Author(s)
      S. Asaki, H. Akamatsu, G. Hasegawa, T. Abe, Y. Nakahira, S. Yoshida, C. Moriyoshi, K. Hayashi
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 59 Issue: SP Pages: SPPC04-SPPC04

    • DOI

      10.35848/1347-4065/abad46

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A-site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates2019

    • Author(s)
      Hirofumi Akamatsu, Koji Fujita, Toshihiro Kuge, Arnab Sen Gupta, James M. Rondinelli, Isao Tanaka, Katsuhisa Tanaka, Venkatraman Gopalan
    • Journal Title

      Physical Review Materials

      Volume: 3 Issue: 6

    • DOI

      10.1103/physrevmaterials.3.065001

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Competing Polar and Antipolar Structures in the Ruddlesden-Popper Layered Perovskite Li2SrNb2O72019

    • Author(s)
      Uppuluri Ritesh、Akamatsu Hirofumi、Sen Gupta Arnab、Wang Huaiyu、Brown Craig M.、Agueda Lopez Kleyser E.、Alem Nasim、Gopalan Venkatraman、Mallouk Thomas E.
    • Journal Title

      Chemistry of Materials

      Volume: 31 Issue: 12 Pages: 4418-4425

    • DOI

      10.1021/acs.chemmater.9b00786

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Hybrid Improper Ferroelectricity in (Sr,Ca)3Sn2O7 and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in n = 2 Ruddlesden?Popper Phases2018

    • Author(s)
      Yoshida Suguru、Akamatsu Hirofumi、Tsuji Ryosuke、Hernandez Olivier、Padmanabhan Haricharan、Sen Gupta Arnab、Gibbs S. Alexandra、Mibu Ko、Murai Shunsuke、Rondinelli M. James、Gopalan Venkatraman、Tanaka Katsuhisa、Fujita Koji
    • Journal Title

      Journal of the American Chemical Society

      Volume: 140 Issue: 46 Pages: 15690-15700

    • DOI

      10.1021/jacs.8b07998

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Strain-engineered Peierls instability in layered perovskite La3Ni2O7 from first principles2018

    • Author(s)
      Mochizuki Yasuhide、Akamatsu Hirofumi、Kumagai Yu、Oba Fumiyasu
    • Journal Title

      Physical Review Materials

      Volume: 2 Issue: 12

    • DOI

      10.1103/physrevmaterials.2.125001

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Presentation] 低許容因子ペロブスカイト型フッ化物LixCoF3のトポケミカル合成2021

    • Author(s)
      松尾祐美、松川祐子、北角将晃、赤松寛文、長谷川丈二、吉田傑、大野真之、林克郎
    • Organizer
      日本セラミックス協会第34回秋季シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] 層状ペロブスカイトNaLaTiO4へのフッ素導入による配位八面体回転誘起2021

    • Author(s)
      石渕圭祐、赤松寛文、吉田傑、大野真之、林克郎
    • Organizer
      日本セラミックス協会第34回秋季シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] Fluorination-Induced Rotations of Anion Coordinated Octahedra in a Layered Perovskite NaLaTiO42021

    • Author(s)
      Hirofumi Akamatsu, Keisuke Ishibuchi, Suguru Yoshida, Saneyuki Ohno, Katsuro Hayashi
    • Organizer
      International Conference on Mixed Anion Compounds
    • Related Report
      2021 Annual Research Report
  • [Presentation] ブリルアンゾーン境界フォノン凍結に関する電子論 -配位八面体回転 の 電子論的起源-2021

    • Author(s)
      吉田 傑 、赤松 寛文、林 克郎
    • Organizer
      第 41 回電子材料研究討論会プログラム
    • Related Report
      2021 Annual Research Report
  • [Presentation] ゾーン境界フォノン凍結に関する電子論2021

    • Author(s)
      吉田 傑 、赤松 寛文、林 克郎
    • Organizer
      日本物理学会 2021年秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Dion-Jacobson相(Rb,Cs)NdNb2O7の構造相転移と誘電特性2020

    • Author(s)
      赤松寛文
    • Organizer
      第37回強誘電体会議(FMA37)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 酸素配位八面体回転を利用した層状ペロブスカイト圧電体・強誘電体の開発2020

    • Author(s)
      赤松寛文
    • Organizer
      第40回電子材料研究討論会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Dion-Jacobson層状ペロブスカイトCsNdNb2O7およびRbNdNb2O7における強誘電スイッチング2020

    • Author(s)
      赤松寛文、麻木宗太、長谷川丈二、林克郎
    • Organizer
      第30回日本MRS年次大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Synthesis and Physical Properties of Carrier-doped Layered Perovskite Ca3Ti2O72019

    • Author(s)
      KISHIMOTO Kazuhisa, AKAMATSU Hirofumi, HASEGAWA George, HAYASHI Katsuro
    • Organizer
      PACRIM13
    • Related Report
      2019 Annual Research Report
  • [Presentation] Topochemical Synthesis and Structural Analysis of Lithium Niobate-Type Fluorides2019

    • Author(s)
      KITAKADO Masahiro, AKAMATSU Hirofumi, HASEGAWA George, HAYASHI Katsuro
    • Organizer
      PACRIM13
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 層状ペロブスカイト Ca3Ti2O7への水素化物イオンドーピング2019

    • Author(s)
      岸本 和久, 赤松 寛文, 長谷川 丈二, 林 克郎
    • Organizer
      セラミックス協会2019年年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Computational and experimental study of functional structural distortions in layered perovskite oxides2018

    • Author(s)
      Hirofumi Akamatsu
    • Organizer
      18th International Conference and Exhibition on Materials Science and Engineering
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Dion-Jacobson型層状ペロブスカイト(Rb, Cs)NdNb2O7の構造と誘電特性2018

    • Author(s)
      麻木 宗太, 赤松 寛文, 長谷川 丈二, 林 克郎
    • Organizer
      セラミックス協会第31回秋季シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] 第一原理計算による新規層状ペロブスカイト酸窒化物強誘電体の探索2018

    • Author(s)
      白井 佑弥, 赤松 寛文, 長谷川 丈二, 林 克郎
    • Organizer
      セラミックス協会第31回秋季シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] Exploration of novel ferroelectric layered perovskite oxides by first-principles calculations2018

    • Author(s)
      Yuya Shirai, Hirofumi Akamatsu, George Hasegawa, Katsuro Hayashi
    • Organizer
      5th SCI workshop
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 密度汎関数理論によるルドルスデン-ポッパー層状酸化物強誘電体の探索2018

    • Author(s)
      白井 佑弥, 赤松 寛文, 長谷川 丈二, 林 克郎
    • Organizer
      第28回日本MRS年次大会
    • Related Report
      2018 Annual Research Report
  • [Remarks] 九州大学応用化学部門林研究室

    • URL

      http://www.cstf.kyushu-u.ac.jp/~hayashilab/

    • Related Report
      2019 Annual Research Report

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Published: 2018-04-23   Modified: 2023-01-30  

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