We present a first-principles approach to describe magnetic and superconducting systems and the phenomena of competition between these electronic effects. We develop a density functional theory SpinSCDFT by extending the Hohenberg-Kohn theorem and constructing the noninteracting Kohn-Sham system. An exchange-correlation functional for SpinSCDFT is derived from the Sham-Schlüter connection between the SpinSCDFT Kohn-Sham and a self-energy in Eliashberg approximation. The reference Eliashberg equations for superconductors in the presence of magnetism are also derived and discussed.
|Physical Review B - Condensed Matter and Materials Physics
|Published - 8 Jul 2015
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