Magnetic properties of ab initio model of iron-based superconductors LaFeAsO

Takahiro Misawa*, Kazuma Nakamura, Masatoshi Imada

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)


By using a variational Monte Carlo method, we examine an effective low-energy model for LaFeAsO derived from an ab initio downfolding scheme. We show that quantum and many-body fluctuations near the antiferromagnetic (AF) quantum critical point largely reduce the antiferromagnetic ordered moment. Our derived model not only quantitatively reproduces the small ordered moment in LaFeAsO, but also accounts for the diversity from LaFePO, BaFe 2As2 to FeTe. Electron correlation is found to determine the observed material dependence. We also find that LaFeAsO is subject to large orbital fluctuations, sandwiched by the AF Mott insulator and weakly correlated metals. The orbital fluctuations and Dirac-cone dispersion hold keys for the diverse magnetic properties.

Original languageEnglish
Article number023704
Journaljournal of the physical society of japan
Issue number2
Publication statusPublished - 2011 Feb
Externally publishedYes


  • Dirac-cone dispersion
  • First-principle calculation
  • Iron-based superconductors
  • Quantum critical point
  • Variational Monte Carlo method

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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