Implications of the electron-phonon coupling in CuPb$_9$(PO$_4$)$_6$O for superconductivity: an \textit{ab initio} study
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| Format: | Preprint |
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2023
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| _version_ | 1866929213752213504 |
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| author | Paudyal, Hari Flatté, Michael E. Paudyal, Durga |
| author_facet | Paudyal, Hari Flatté, Michael E. Paudyal, Durga |
| contents | We report $ab~initio$ 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2308_14294 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Implications of the electron-phonon coupling in CuPb$_9$(PO$_4$)$_6$O for superconductivity: an \textit{ab initio} study Paudyal, Hari Flatté, Michael E. Paudyal, Durga Superconductivity We report $ab~initio$ 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. |
| title | Implications of the electron-phonon coupling in CuPb$_9$(PO$_4$)$_6$O for superconductivity: an \textit{ab initio} study |
| topic | Superconductivity |
| url | https://arxiv.org/abs/2308.14294 |