Ab initio theory of superconductivity in a magnetic field. II. Numerical solution

A. Linscheid*, A. Sanna, E. K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

We numerically investigate the spin density functional theory for superconductors (SpinSCDFT) and the approximated exchange-correlation functional, derived and presented in the preceding Paper I [A. Linscheid, Phys. Rev. B 92, 024505 (2015)PRBMDO1098-012110.1103/PhysRevB.92.024505]. As a test system, we employ a free-electron gas featuring an exchange splitting, a phononic pairing field, and a Coulomb repulsion. SpinSCDFT results are compared with Sarma, the Bardeen-Cooper-Schrieffer theory, and with an Eliashberg type of approach. We find that the spectrum of the superconducting Kohn-Sham SpinSCDFT system is not in agreement with the true quasiparticle structure. Therefore, starting from the Dyson equation, we derive a scheme that allows to compute the many-body excitations of the superconductor and represents the extension to superconductivity of the G0W0 method in band-structure theory. This superconducting G0W0 method vastly improves the predicted spectra.

Original languageAmerican English
Article number024506
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume92
Issue number2
DOIs
StatePublished - 8 Jul 2015
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2015 American Physical Society.

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