Preprint
Implications of the electron-phonon coupling in CuPb9(PO4)6O for high-temperature superconductivity: an ab initio study
ArXiv.org
Cornell University
08/28/2023
DOI: 10.48550/arxiv.2308.14294
Abstract
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.
Details
- Title: Subtitle
- Implications of the electron-phonon coupling in CuPb9(PO4)6O for high-temperature superconductivity: an ab initio study
- Creators
- Hari PaudyalMichael E FlattéDurga Paudyal
- Resource Type
- Preprint
- Publication Details
- ArXiv.org
- DOI
- 10.48550/arxiv.2308.14294
- ISSN
- 2331-8422
- Publisher
- Cornell University
- Language
- English
- Date posted
- 08/28/2023
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9984459409202771
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