2013 Fiscal Year Final Research Report
Development and application of ab initio methods to calculate superconducting transition temperature
| Project/Area Number |
23340095
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Condensed matter physics II
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| Research Institution | The University of Tokyo |
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Principal Investigator |
ARITA Ryotaro 東京大学, 工学(系)研究科(研究院), 准教授 (80332592)
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| Co-Investigator(Kenkyū-buntansha) |
NAKAMURA Kazuma 九州工業大学, 工学系研究科, 准教授 (60525236)
IKEDA Hiroaki 京都大学, 理学系研究科, 助教 (90311737)
KORETSUNE Takashi 東京工業大学, 理工学研究科, 助教 (90391953)
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| Project Period (FY) |
2011-11-18 – 2014-03-31
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| Keywords | 高温超伝導 / 第一原理計算 / 転移温度 / ダウンフォールディング / 超伝導密度汎関数理論 |
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| Research Abstract |
We developed methods to calculate superconducting transition temperatures from first principles. As for the approach combining density functional theory and many-body methods, we formulated schemes taking account of the spin-orbit coupling and the electron-phonon coupling. For superconducting density functional theory, we developed a scheme for the plasmon mechanism. We applied these methods to iron-based superconductors, layered nitrides, heavy fermion systems, carbon-based superconductors, and elemental lithium under high pressures.
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[Journal Article]2012
Author(s)
Yusuke Nomura, Merzuk Kaltak, Kazuma Nakamura, Ciro Taranto, Shiro Sakai, Alessandro Toschi, Ryotaro Arita, Karsten Held, Georg Kresse, and Masatoshi Imada
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Journal Title
Phys. Rev. B
Volume: 86
Pages: 085117-1-8
DOI
Peer Reviewed
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