Development of superconducting density functional theory and its application
| Project/Area Number |
15H03696
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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 | Institute of Physical and Chemical Research |
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Principal Investigator |
Arita Ryotaro 国立研究開発法人理化学研究所, 創発物性科学研究センター, チームリーダー (80332592)
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| Co-Investigator(Kenkyū-buntansha) |
是常 隆 東北大学, 理学研究科, 准教授 (90391953)
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| Co-Investigator(Renkei-kenkyūsha) |
AKASHI Ryosuke 東京大学, 理学(系)研究科(研究院), 助教 (40734356)
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| Project Period (FY) |
2015-04-01 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥15,860,000 (Direct Cost: ¥12,200,000、Indirect Cost: ¥3,660,000)
Fiscal Year 2017: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2016: ¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2015: ¥9,490,000 (Direct Cost: ¥7,300,000、Indirect Cost: ¥2,190,000)
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| Keywords | 超伝導密度汎関数理論 / 第一原理計算 / 高温超伝導 / トポロジカル超伝導 / 物性理論 / 超伝導 / 高圧下水素化合物 / 高圧下硫化水素 |
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| Outline of Final Research Achievements |
We have developed (1) an efficient method to calculate the electron-phonon coupling constant which gives rapid convergence with respect to the size of the k-mesh, (2) a method to calculate the effect of the spin-orbit coupling on the electron-phonon coupling, and (3) a method to quantify the instability of odd-parity superconductivity. With these methods, we have studied superconductivity in F-doped LaOBiS2, In-doped topological crystalline insulator SnTe, Cu-doped topological insulator Bi2Se3. We have also developed a first-principles method based on the Migdal-Eliashberg theory considering the effects of zero-point motion, anharmonicity, retardation effect, the vertex correction (going beyond the standard Migdal approximation), and studied high temperature superconductivity in H3S under high pressure.
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Report
(4 results)
Research Products
(22 results)
