Development of Density-Functional Theory for a Plasmon-Assisted Superconducting State: Application to Lithium Under High Pressures
Ryosuke Akashi, Ryotaro Arita
DOI 10.1103/PhysRevLett.111.057006 · Physical Review Letters
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Abstract
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 (Tc) when the plasmon and phonon cooperatively mediate pairing and it improves the agreement between the calculated and experimentally observed Tc. The present formalism opens the door to nonempirical studies on unconventional electron mechanisms of superconductivity based on density-functional theory.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.4 | 14 GPa | unknown |
| Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.2 | 20 GPa | unknown |
| Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.4 | 25 GPa | unknown |
| Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.8 | 30 GPa | unknown |
| Al Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.1 | Pressure unresolved | unknown |
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