Ab initio GW calculations for low-density carrier system
| 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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Report
(5 results)
Research Products
(24 results)
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[Journal Article] Uniaxial strain effects on the superconducting transition in Re-doped Hg-1223 cuprate superconductors2017
Author(s)
Masaki Mito, Kazuma Ogata, Hiroki Goto, Kazuki Tsuruta, Kazuma Nakamura, Hiroyuki Deguchi, Tomoya Horide, Kaname Matsumoto, Takayuki Tajiri, Hiroshi Hara, Toshinori Ozaki, Hiroyuki Takeya, and Yoshihiko Takano
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Journal Title
Phys. Rev. B
Volume: 95
Issue: 6
Pages: 64503-64503
DOI
Related Report
Peer Reviewed / Acknowledgement Compliant
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[Journal Article] Large enhancement of superconducting transition temperature in single-element superconducting rhenium by shear strain2016
Author(s)
M. Mito, H. Matsui, K. Tsuruta, T. Yamaguchi, K. Nakamura, H. Deguchi, N. Shirakawa, H. Adachi, T. Yamasaki, H. Iwaoka, Y. Ikoma, and Z. Horita
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Journal Title
Scientific Reports
Volume: 5
Issue: 1
Pages: 36337-36337
DOI
Related Report
Peer Reviewed / Open Access / Acknowledgement Compliant
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[Presentation] 第一原理多体摂動論の前線2015
Author(s)
中村和磨
Organizer
日本物理学会第70回年次大会
Place of Presentation
早稲田大学
Year and Date
2015-03-21 – 2015-03-24
Related Report
Invited
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