| Project/Area Number |
25800200
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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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 | Kyushu Institute of Technology |
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Principal Investigator |
Nakamura Kazuma 九州工業大学, 大学院工学研究院, 准教授 (60525236)
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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 |
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2014: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 第一原理計算 / 多体摂動計算 / GW計算 / 遷移金属化合物 / 有機化合物 / 低エネルギープラズモン励起 / プラズマロン状態 / 第一原理GW計算 / 光電子分光 / 多体摂動論 / 有機導体 / 擬一次元系 / 強相関金属 / 遷移金属酸化物 / キュムラント展開法 / プラズモン素励起 / 強相関電子系 |
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| Outline of Final Research Achievements |
We study an effect of the low-energy plasmon excitation (group electric charge excitation) on electronic structure of the material using ab initio GW calculations. We choose two benchmarks an organic compound (TMTSF)2PF6 and a transition-metal oxide SrVO3, which exhibit characteristic low-energy band structures around the Fermi level, which bring about interesting low-energy properties; the low-energy bands near the Fermi level are isolated from the other bands, and, in the isolated bands, unusually low-energy plasmon excitations occur. To study the effect of this low-energy-plasmon fluctuation on the electronic structure, we calculate spectral functions and photoemission spectra using the ab initio GW calculation. We found that the low-energy plasmon fluctuation leads to an appreciable renormalization of the low-energy bands and a transfer of the spectral weight into the incoherent part, thus resulting in an agreement with experimental photoemission data.
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