| Project/Area Number |
16K13833
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Condensed matter physics II
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| Research Institution | Tokyo Institute of Technology |
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Principal Investigator |
Sasagawa Takao 東京工業大学, 科学技術創成研究院, 准教授 (30332597)
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| Research Collaborator |
NAMIKI Hiromasa
TANAKA Hiroto
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| Project Period (FY) |
2016-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2017: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Keywords | ダイヤ分子 / 化学修飾 / 第一原理計算 / 単結晶 / 誘電性 / 強誘電性 / 非線形光学効果 |
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| Outline of Final Research Achievements |
In order to improve and explore the functionality of diamond molecules (or the so-called diamondoids), a dipole moment was introduced by the chemical substitution of oxygen or halogen (F, Cl, Br, I) for hydrogen. Synthesis of such "polar diamond molecules" containing one and two diamond-cage(s) was successfully performed, which was confirmed by good agreements between the theoretical calculations based on first-principles and the measured infrared spectra of the purified obtained materials. As a result, six kinds of non-commercially available polar diamond molecules were successfully obtained with sufficient yields for the measurements of their physical properties.
We found a dielectric anomaly associated with the freezing of the molecular rotation in the crystal, which showed systematic temperature shift reflecting the size (rotational barrier) of the substituted atom.
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