| Project/Area Number |
25420720
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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 |
Inorganic materials/Physical properties
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| Research Institution | Kwansei Gakuin University |
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Principal Investigator |
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2015: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2014: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2013: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
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| Keywords | 蛍光体 / 遷移金属 / 多重項 / 吸収スペクトル / 第一原理計算 / 構造最適化 / 酸化物 / フッ化物 |
|---|
| Outline of Final Research Achievements |
An automatic calculation system for efficient calculation of the data for multi-dimensional multiplet energy diagrams was developed and many multi-dimensional diagrams which provide useful guidelines for the development of Mn4+ doped novel oxide red phosphors were created.
Moreover, by performing structural optimization around d3 ions (V2+, Cr3+, Mn4+) in Al2O3, MgO, and Li2TiO3 based on first-principles calculations, the structural changes due to the lattice relaxation, and their effects on the multiplet energy levels were quantitatively evaluated.
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