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arxiv: 0911.3705 · v2 · pith:Q725RHONnew · submitted 2009-11-19 · ❄️ cond-mat.supr-con · cond-mat.str-el

Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency

classification ❄️ cond-mat.supr-con cond-mat.str-el
keywords covalencyfamilieslow-energysystematicbafe2as2calculationschalcogen-pcompared
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Effective low-energy Hamiltonians for several different families of iron-based superconductors are compared after deriving them from the downfolding scheme based on first-principles calculations. Systematic dependences of the derived model parameters on the families are elucidated, many of which are understood from the systematic variation of the covalency between Fe-3d and pnictogen-/chalcogen-p orbitals.

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