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

A. Davydov, A. Sanna, C. Pellegrini, J. K. Dewhurst, S. Sharma, E. K.U. Gross

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27 Scopus citations

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.

Original languageEnglish
Article number214508
JournalPhysical Review B
Volume102
Issue number21
DOIs
StatePublished - 21 Dec 2020

Bibliographical note

Publisher Copyright:
© 2020 authors. Published by the American Physical Society. Open access publication funded by the Max Planck Society.

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