Journal article
Implications of the electron-phonon coupling in CuPb9(PO4)6O for superconductivity: An ab initio study
Physical review materials, Vol.8(1), L011801
01/16/2024
DOI: 10.1103/PhysRevMaterials.8.L011801
Abstract
Here 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.
Details
- Title: Subtitle
- Implications of the electron-phonon coupling in CuPb9(PO4)6O for superconductivity: An ab initio study
- Creators
- Hari PaudyalMichael E. FlattéDurga Paudyal - Iowa State University
- Resource Type
- Journal article
- Publication Details
- Physical review materials, Vol.8(1), L011801
- DOI
- 10.1103/PhysRevMaterials.8.L011801
- ISSN
- 2475-9953
- eISSN
- 2475-9953
- Publisher
- American Physical Society (APS)
- Grant note
- DOI: 10.13039/100000015, name: U.S. Department of Energy, award: DE-SC0016379, DE-AC02-07CH11358
- Language
- English
- Date published
- 01/16/2024
- Academic Unit
- Electrical and Computer Engineering; Physics and Astronomy
- Record Identifier
- 9984554856102771
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