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
Externally publishedYes

Fingerprint

magnetic properties
iron
moments
orbitals
Monte Carlo method
critical point
cones
insulators
metals
electrons
energy

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)

Cite this

Magnetic properties of ab initio model of iron-based superconductors LaFeAsO. / Misawa, Takahiro; Nakamura, Kazuma; Imada, Masatoshi.

In: Journal of the Physical Society of Japan, Vol. 80, No. 2, 023704, 01.02.2011.

Research output: Contribution to journalArticle

Misawa, Takahiro ; Nakamura, Kazuma ; Imada, Masatoshi. / Magnetic properties of ab initio model of iron-based superconductors LaFeAsO. In: Journal of the Physical Society of Japan. 2011 ; Vol. 80, No. 2.
@article{657653ce00c24a16a36bf46ab8a16b5c,
title = "Magnetic properties of ab initio model of iron-based superconductors LaFeAsO",
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.",
keywords = "Dirac-cone dispersion, First-principle calculation, Iron-based superconductors, Quantum critical point, Variational Monte Carlo method",
author = "Takahiro Misawa and Kazuma Nakamura and Masatoshi Imada",
year = "2011",
month = "2",
day = "1",
doi = "10.1143/JPSJ.80.023704",
language = "English",
volume = "80",
journal = "Journal of the Physical Society of Japan",
issn = "0031-9015",
publisher = "Physical Society of Japan",
number = "2",

}

TY - JOUR

T1 - Magnetic properties of ab initio model of iron-based superconductors LaFeAsO

AU - Misawa, Takahiro

AU - Nakamura, Kazuma

AU - Imada, Masatoshi

PY - 2011/2/1

Y1 - 2011/2/1

N2 - 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.

AB - 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.

KW - Dirac-cone dispersion

KW - First-principle calculation

KW - Iron-based superconductors

KW - Quantum critical point

KW - Variational Monte Carlo method

UR - http://www.scopus.com/inward/record.url?scp=79951634992&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79951634992&partnerID=8YFLogxK

U2 - 10.1143/JPSJ.80.023704

DO - 10.1143/JPSJ.80.023704

M3 - Article

AN - SCOPUS:79951634992

VL - 80

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

SN - 0031-9015

IS - 2

M1 - 023704

ER -