期刊
PHYSICAL REVIEW LETTERS
卷 111, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.057006
关键词
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资金
- Funding Program for World-Leading Innovative R&D on Science and Technology (FIRST Program) on Quantum Science on Strong Correlation,'' JST-PRESTO
- Next Generation Super Computing Project
- MEXT, Japan
- [23340095]
- Grants-in-Aid for Scientific Research [22104010, 23340095] Funding Source: KAKEN
We extend the density-functional theory for superconductors (SCDFT) to take account of the dynamical structure of the screened Coulomb interaction. We construct an exchange-correlation kernel in the SCDFT gap equation on the basis of the random-phase approximation, where electronic collective excitations such as plasmons are properly treated. Through an application to fcc lithium under high pressures, we demonstrate that our new kernel gives higher transition temperatures (T-c) when the plasmon and phonon cooperatively mediate pairing and it improves the agreement between the calculated and experimentally observed T-c. The present formalism opens the door to nonempirical studies on unconventional electron mechanisms of superconductivity based on density-functional theory.
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