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

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

2009-11-19

arxiv.org/abs/0911.3705v2

J. Phys. Soc. Jpn. 79, 044705 (2010)

Physics

Condensed Matter

Superconductivity

23 pages, 7 figures and 12 tables. To appear in J. Phys. Soc. Jpn. The revised version contains a comment on the transfer inte

Scientific paper

10.1143/JPSJ.79.044705

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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