TY - JOUR
T1 - Ab initio theory of plasmonic superconductivity within the Eliashberg and density-functional formalisms
AU - Davydov, A.
AU - Sanna, A.
AU - Pellegrini, C.
AU - Dewhurst, J. K.
AU - Sharma, S.
AU - Gross, E. K.U.
N1 - Publisher Copyright:
© 2020 authors. Published by the American Physical Society. Open access publication funded by the Max Planck Society.
PY - 2020/12/21
Y1 - 2020/12/21
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85098600409&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.102.214508
DO - 10.1103/PhysRevB.102.214508
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AN - SCOPUS:85098600409
SN - 2469-9950
VL - 102
JO - Physical Review B
JF - Physical Review B
IS - 21
M1 - 214508
ER -