Study of soft-mode and chemical-bonding in ferroelectric phase transition by collaboration between first-principles calculations and precise experiments
Project/Area Number |
24560833
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Research Category |
Grant-in-Aid for Scientific Research (C)
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Allocation Type | Multi-year Fund |
Section | 一般 |
Research Field |
Inorganic materials/Physical properties
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Research Institution | Japan Fine Ceramics Center |
Principal Investigator |
MORIWAKE Hiroki 一般財団法人ファインセラミックスセンター, ナノ構造研究所, グループ長 (40450853)
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Co-Investigator(Renkei-kenkyūsha) |
TANIGUCHI Hiroki 名古屋大学, 理学部, 准教授 (80422525)
HASHIMOTO Tamotsu 独立行政法人産業技術総合研究所, ナノシステム研究部門, 研究員 (80357772)
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Project Period (FY) |
2012-04-01 – 2015-03-31
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Project Status |
Completed (Fiscal Year 2014)
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Budget Amount *help |
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
|
Keywords | 強誘電体 / ソフトモード / 第一原理計算 / 化学結合 / 強誘電体材料 / 化学結合状態 / ソフトモードフォノン / 誘電体 / ラマン散乱 / フォノン / 相転移 / 該当しない |
Outline of Final Research Achievements |
In this study, we tried to reveal relationship between soft-mode and chemical-bonding in ferroelectric phase transition by collaboration between first-principles calculations and precise experiments. We find out the mechanism of giant permittivity of BaTiO3 using newly developed finite temperature simulation. The origin of this giant permittivity is presence of soft-mode with very low potential barrier in BaTiO3. Our findings provide us with an important insight for high permittivity materials design.
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Report
(4 results)
Research Products
(25 results)
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[Journal Article] Ferroelectricity Driven by Twisting of Silicate Tetrahedral Chains2013
Author(s)
Hiroki Taniguchi, Akihide Kuwabara, Jungeun Kim, Younghun Kim, Hiroki Moriwake, Sungwng Kim, Takuya Hoshiyama, Tsukasa Koyama, Shigeo Mori, Masaki Takata, Hideo Hosono, Yoshiyuki Inaguma, and Mitsuru Itoh
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Journal Title
Angewandte Chemie International Edition
Volume: vol.52
Issue: 31
Pages: 8088-8092
DOI
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Peer Reviewed
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[Presentation] Ferroelectric phase transition Driven by Twisting of Silicate Tetrahedral Chains2014
Author(s)
Hiroki Taniguchi, A. Kuwabara, J. Kim, Y. Kim, H. Moriwake, S. Kim, T. Hoshiyama, T. Koyama, S. Mori, M. Takata, H. Hosono, Y. Inaguma, and M. Itoh
Organizer
Fundamental Physics of Ferroelectrics and Related Materials
Place of Presentation
Carnegie Institution
Related Report
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