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

Takahiro Misawa, Kazuma Nakamura, Masatoshi Imada

研究成果: Article査読

22 被引用数 (Scopus)

抄録

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.

本文言語English
論文番号023704
ジャーナルjournal of the physical society of japan
80
2
DOI
出版ステータスPublished - 2011 2
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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