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Ab initio theory of iron-based superconductors

F. Essenberger, A. Sanna, P. Buczek, A. Ernst, L. Sandratskii, E. K. U. Gross

DOI 10.1103/PhysRevB.94.014503 · Physical Review B

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Abstract

We report a first-principles study of the superconducting critical temperature and other properties of Fe-based superconductors taking into account, on equal footing, phonon, charge, and spin-fluctuation mediated Cooper pairing. We show that in FeSe this leads to a modulated s± gap symmetry and that the antiferromagnetic paramagnons are the leading mechanism for superconductivity in FeSe, overcoming the strong repulsive effect of both phonons and charge pairing.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
FeSe

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3Pressure not reportedunknown
FeSe

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24Pressure not reportedunknown
FeSe

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8Pressure not reportedunknown

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