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Ab-initio theory of Iron based superconductors

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arxiv 1411.2121 v1 pith:FBBCYGQA submitted 2014-11-08 cond-mat.supr-con

classification cond-mat.supr-con
keywords chargefesepairingsuperconductingsuperconductorsab-initioaccountantiferromagnetic
verification ladder T0 review T1 audit T2 compute T3 formal
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abstract

We report the first-principles study of superconducting critical temperature and superconducting properties of Fe-based superconductors taking into account on the same footing phonon, charge and spin-fluctuation mediated Cooper pairing. We show that in FeSe this leads to a modulated s$\pm$ 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.

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