Enhanced Performance of Antiferroelectric Perovskites with Tailored Octahedral Rotations
| Project/Area Number |
18K14303
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| Research Category |
Grant-in-Aid for Early-Career Scientists
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| Allocation Type | Multi-year Fund |
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| Review Section |
Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
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| Research Institution | National Institute of Advanced Industrial Science and Technology (2020)
The University of Tokyo (2018-2019) |
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Principal Investigator |
Kitanaka Yuuki 国立研究開発法人産業技術総合研究所, エレクトロニクス・製造領域, 研究員 (20727804)
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| Project Period (FY) |
2018-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000)
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| Keywords | 強誘電体 / 圧電体 / 電場誘起相転移 / 自発分極 / 結晶成長 / 結晶構造解析 / 電子状態計算 / 単結晶成長 / 薄膜 / 相転移 / 誘電体材料 / 反強誘電体 / 第一原理計算 / 単結晶育成 |
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| Outline of Final Research Achievements |
To establish a novel materials design for multifunction of perovskite oxides such as dielectric and piezoelectric properties, we have investigated the energetical coupling between polar displacements and oxygen octahedral rotations in antiferroelectric perovskites and its impact on controlling the material properties of electric-field response. For (Bi1/2Na1/2)TiO3-based materials, experimental results on bulk crystals and structural analyses based on ab-initio calculations reveals that defect structures induce chemical pressure to oxygen octahedra in the host perovskite structure, which is found to largely influence polarization properties of the materials. We have also expanded this concept to a different material system of Nb-based perovskite oxides, where the coupling between polarization and octahedral rotations were found to hold an important key to controlling the material properties.
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| Academic Significance and Societal Importance of the Research Achievements |
本研究成果の特色として、ペロブスカイト材料の電気物性には本来寄与しないはずの酸素八面体の回転変位に着目している点が挙げられる。現行のPb系圧電材料は一般に回転変位を持たないが、非Pb材料の有望組成の多くは回転変位を持つため、本研究成果で提唱する回転変位を活用した材料設計指針の重要度は大きい。また、大半のABO3型電子材料が構造中に回転変位を持つため、反強誘電体材料以外の広範な電子材料への展開や、新しい材料機能の発現にもつながることも期待できる。
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Report
(4 results)
Research Products
(13 results)
