Theory of the magnetic moment in iron pnictides

Jiansheng Wu, Philip Phillips, A. H. Castro Neto

Research output: Contribution to journalArticlepeer-review


We show that the combined effects of spin orbit, monoclinic distortion, and p-d hybridization in tetrahedrally coordinated Fe in LaFeAsO invalidate the naive Hund's rule filling of the Fe d levels. The two highest occupied levels have one electron each, but, as a result of differing p-d hybridizations, the upper level is more itinerant, while electrons in the lower level are more localized. The resulting magnetic moment is highly anisotropic with an in-plane value of 0.25μB-0.35μB per Fe and a z projection of 0.06μB, both of which are in agreement with experiment.

Original languageEnglish (US)
Article number126401
JournalPhysical review letters
Issue number12
StatePublished - Sep 15 2008

ASJC Scopus subject areas

  • General Physics and Astronomy


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