Implications of the electron-phonon coupling in CuPb${}_9$(PO${}_4$)${}_6$O for superconductivity: an \textit{ab initio} study

Abstract

We report $abinitio$ calculations of the electronic and vibrational properties in CuPb${}_9$(PO${}_4$)${}_6$O, 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 does not support high-temperature superconductivity in CuPb${}_9$(PO${}_4$)${}_6$O 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 less than 2~K.

5 pages and 3 figures

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Cited by in corpus (1)

• Nonlinear Hall Effects induced by Berry Curvature Dipole in CuPb${}_9$(PO${}_4$)${}_6$O