English

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

Superconductivity 2024-01-19 v2

Abstract

We report ab initioab~initio calculations of the electronic and vibrational properties in CuPb9_9(PO4_4)6_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 3d3d and O 2p2p 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 CuPb9_9(PO4_4)6_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 less than 2~K.

Keywords

Cite

@article{arxiv.2308.14294,
  title  = {Implications of the electron-phonon coupling in CuPb$_9$(PO$_4$)$_6$O for superconductivity: an \textit{ab initio} study},
  author = {Hari Paudyal and Michael E. Flatté and Durga Paudyal},
  journal= {arXiv preprint arXiv:2308.14294},
  year   = {2024}
}

Comments

5 pages and 3 figures