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

Takahiro Misawa, Kazuma Nakamura, Masatoshi Imada

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

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
Volume80
Issue number2
DOIs
Publication statusPublished - 2011 Feb 1

Keywords

  • 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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