Implications of the electron-phonon coupling in CuPb9(PO4)6O for superconductivity: An ab initio study
Hari Paudyal, Michael E. Flatté, Durga Paudyal
DOI 10.1103/PhysRevMaterials.8.L011801 · Physical Review Materials
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Abstract
We report ab initio calculations of the electronic and vibrational properties in CuPb9(PO4)6O, including the electron-phonon coupling strength via strong-coupling Migdal-Eliashberg theory. We verify the presence of appealing flat electronic bands near the Fermi level, a strong hybridization between the Cu 3d and O 2p states, and soft low-energy phonons, which can suggest high-temperature superconducting behavior. However, the electron-phonon coupling strength appears insufficient to overcome the Coulomb repulsion between an electron pair and thus does not support high-temperature superconductivity in CuPb9(PO4)6O via the conventional electron-phonon Migdal-Eliashberg mechanism. Even neglecting Coulomb repulsion of the electron pair we find this electron-phonon coupling suggests a superconducting transition temperature of less than 2 K.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| CuPb9(PO4)6O Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2 | Pressure not reported | unknown |
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