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

A. Linscheid, A. Sanna, and E. K. U. Gross
Phys. Rev. B 92, 024506 – Published 8 July 2015

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 et al., Phys. Rev. B 92, 024505 (2015)]. 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.

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  • Received 29 January 2015
  • Revised 9 June 2015

DOI:https://doi.org/10.1103/PhysRevB.92.024506

©2015 American Physical Society

Authors & Affiliations

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

  • Max Planck Institute of Microstructure Physics, Weinberg 2, D-06120 Halle, Germany

  • *Corresponding author: alinsch@mpi-halle.mpg.de

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Vol. 92, Iss. 2 — 1 July 2015

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