Theory Department
Max Planck Institute of Microstructure Physics
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Linscheid, A., Sanna, A., Essenberger, F., Gross, E. K. U.

Ab initio theory of superconductivity in a magnetic field. I. Spin density functional theory for superconductors and Eliashberg equations
Physical Review B 92, (2),pp 024505/1-19 (2015)
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.

TH-2015-16