Superconductivity and electron-phonon coupling in lithium at high pressures

Timur Bazhirov; Jesse Noffsinger; Marvin L. Cohen

doi:10.1103/PhysRevB.82.184509

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Superconductivity and electron-phonon coupling in lithium at high pressures

Timur Bazhirov, Jesse Noffsinger, Marvin L. Cohen

DOI 10.1103/PhysRevB.82.184509 · Physical Review B

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Abstract

Using a first-principles pseudopotential approach we study the origin of superconductivity in lithium under pressure. A recently developed Wannier interpolation based technique that allows for ultradense sampling of electron-phonon parameters throughout the Brillouin zone was employed. The electron-phonon coupling strength as a function of pressure was calculated, precisely resolving many of the fine features of its distribution. The contributions to coupling arising from the Fermi surface topology, phonon dispersions, and electron-phonon matrix elements were separately analyzed. It is found that of the constituent components, the electron-phonon matrix elements are the most sensitive to pressure changes, and a particular phonon is responsible for high values of coupling. Additionally, the distribution of matrix elements over the Fermi surface is seen to be non-uniform and possesses a two-peak structure. Analysis of the Eliashberg spectral function α2F(ω) shows a considerable increase in spectral weight in the low-frequency region with the application of pressure. We estimate the superconducting transition temperature and find that the obtained values are in good accord with experiment.

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.	0.5	8 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	0.01	8 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	2	14 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	0.3	14 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	6.8	20 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	2.7	20 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	12.2	30 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
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	20	36 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	14.2	36 GPa	unknown
Li Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	14	30 GPa	unknown