Importance of itinerancy and quantum fluctuations for the magnetism in ironpnictides

Yu Zhong Zhang, Hunpyo Lee, Ingo Opahle, Harald O. Jeschke, Roser Valentí

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


By applying density functional theory, we find strong evidence for an itinerant nature of magnetism in two families of iron pnictides. Furthermore, by employing dynamical mean field theory with continuous time quantum Monte Carlo as an impurity solver, we observe that the antiferromagnetic metal with small magnetic moment naturally arises out of coupling between unfrustrated and frustrated bands. Our results point to a possible scenario for magnetism in iron pnictides where magnetism originates from a strong instability at the momentum vector (π,π,π) while it is reduced by quantum fluctuations due to the coupling between weakly and strongly frustrated bands.

Original languageEnglish
Pages (from-to)324-328
Number of pages5
JournalJournal of Physics and Chemistry of Solids
Issue number5
Publication statusPublished - May 2011
Externally publishedYes


  • A. Superconductors
  • C. Ab initio calculations
  • D. Fermi surface
  • D. Phase transitions
  • D. Spin-density waves

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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