Proximity of antiferromagnetism and superconductivity in LaFeAsO 1-x F x : Effective Hamiltonian from ab initio studies

@article{Cao2008ProximityOA,
  title={Proximity of antiferromagnetism and superconductivity in LaFeAsO 1-x F x : Effective Hamiltonian from ab initio studies},
  author={C. Cao and P. Hirschfeld and H. Cheng},
  journal={Physical Review B},
  year={2008},
  volume={77},
  pages={220506}
}
  • C. Cao, P. Hirschfeld, H. Cheng
  • Published 2008
  • Physics
  • Physical Review B
  • We report density functional theory calculations for the parent compound LaFeAsO of the recently discovered 26 K Fe-based superconductor ${\text{LaFeAsO}}_{1\ensuremath{-}x}{\text{F}}_{x}$. We find that the ground state is an ordered antiferromagnet, with staggered moment of about $2.3\text{ }{\ensuremath{\mu}}_{B}$, on the border with the Mott insulating state. We fit the bands crossing the Fermi surface, derived from Fe and As, to a tight-binding Hamiltonian using maximally localized Wannier… CONTINUE READING
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