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Fermiology of 122 family of Fe-based superconductors: An ab initio study

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arxiv 1412.8021 v1 pith:KKFXIK3K submitted 2014-12-27 cond-mat.supr-con

classification cond-mat.supr-con
keywords electrondopingholefe-basedfermifermiologysuperconductorsvarious
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Fermiology of various 122 systems are studied through first principles simulation. Electron doping causes expansion of electron and shrinkage of hole Fermi pockets. Isovalent Ru substitution (upto 35%) makes no visible modification in the electron and hole like FSs providing no clue regarding the nature of charge carrier doping. However, in case of 32% P doping there are considerable changes in the hole Fermi surfaces (FSs). From our calculations, it is very clear that two dimensionality of FSs may favour electron pair scattering between quasi-nested FSs which has important bearings in various orders (magnetic, orbital, superconducting) present in Fe-based superconductors.

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