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  Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms

Davydov, A., Sanna, A., Pellegrini, C., Dewhurst, J. K., Sharma, S., & Gross, E. (2020). Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms. Physical Review B, 102(21): 214508. doi:10.1103/PhysRevB.102.214508.

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PhysRevB.102.214508.pdf (Publisher version), 2MB
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https://doi.org/10.1103/PhysRevB.102.214508 (Publisher version)
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Davydov, Arkadiy1, Author
Sanna, Antonio2, Author              
Pellegrini, Camilla1, Author
Dewhurst, John Kay2, Author              
Sharma, Sangeeta1, Author
Gross, Eberhardt1, Author
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1External Organizations, ou_persistent22              
2Max Planck Institute of Microstructure Physics, Max Planck Society, ou_2415691              

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 Abstract: We extend the two leading methods for the ab initio computational description of phonon-mediated superconductors, namely Eliashberg theory and density-functional theory for superconductors (SCDFT), to include plasmonic effects. Furthermore, we introduce a hybrid formalism in which the Eliashberg approximation for the electron-phonon coupling is combined with the SCDFT treatment of the dynamically screened Coulomb interaction. The methods have been tested on a set of well-known conventional superconductors by studying how the plasmon contribution affects the phononic mechanism in determining the critical temperature (TC). Our simulations show that plasmonic SCDFT leads to a good agreement between predicted and measured TC's, whereas Eliashberg theory considerably overestimates the plasmon-mediated pairing and, therefore, TC. The hybrid approach, on the other hand, gives results close to SCDFT and overall in excellent agreement with experiments.

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 Dates: 2021-12-212020-12-01
 Publication Status: Published in print
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 Identifiers: BibTex Citekey: P14002
DOI: 10.1103/PhysRevB.102.214508
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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
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Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 102 (21) Sequence Number: 214508 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: https://pure.mpg.de/cone/journals/resource/954925225008