| Project/Area Number |
25400334
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Condensed matter physics I
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| Research Institution | High Energy Accelerator Research Organization |
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Principal Investigator |
IWANO Kaoru 大学共同利用機関法人高エネルギー加速器研究機構, 物質構造科学研究所, 研究機関講師 (10211765)
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| Co-Investigator(Kenkyū-buntansha) |
下位 幸弘 国立研究開発法人産業技術総合研究所, 機能材料コンピュテーショナルデザイン研究センター, 研究チーム長 (70357226)
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| Project Period (FY) |
2013-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 光誘起相転移 / 水素結合型強誘電体 / 分極反転 / 水素変位型強誘電体 / 電気分極 / ベリー位相 / 一原理計算 / 光誘起位相転移 / 光誘起強誘電消失 / 強誘電性 / 光制御 / 水素結合 |
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| Outline of Final Research Achievements |
In this project, we investigated two topics, that are, photoinduced ferroelectric polarization disappearance in the croconic acid and the determination of polarization in α-(BEDT-TTF)2I3. Regarding the first topic, we applied a quantum chemical method to a molecular cluster and estimated the maximum number of polarization inversion in units of molecules as about ten. Furthermore, we also clarified possible paths to realize such polarization inversion. Regarding the second topic, we found both spin-polarized and spin-unpolarized solutions. Based on the former solution, we calculated the direction of the polarization and found that the result is consistent with the observation. The spin-unpolarized solution, on the other hand, does not reproduce the experimental result. Meanwhile, it shows a Dirac-electron feature,being a physically interesting system. We proposed a new scheme to calculate the polarization and succeeded in determining it accurately.
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