Theory of the Magnetic Moment in Iron Pnictides

2008/05/31 by Jiansheng Wu, Philip Phillips, A. H. Castro Neto +1 · 2 citations
Business, Management and Accounting · Materials Science · Physics and Astronomy · #Corporate Taxation and Avoidance #Iron-based superconductors research #Rare-earth and actinide compounds #cond-mat.str-el #cond-mat.supr-con

paper · pdf · doi:10.1103/physrevlett.101.126401

published as Phys. Rev. Lett., vol. 101, 126401 (2008) · Published Version

openalex publication_date 2008/09/15 · arxiv created 2008/09/17 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

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 0.25 micro_B-0.35 micro_B per Fe and a z projection of 0.06 micro_B, both of which are in agreement with experiment.

Citations

• Proximity of antiferromagnetism and superconductivity inLaFeAsO1−xFx: Effective Hamiltonian fromab initiostudies
• Strong Correlations and Magnetic Frustration in the HighTcIron Pnictides
• Superconductivity at 53.5 K in GdFeAsO1−δ
• Origin of the 150-K Anomaly in LaFeAsO: Competing Antiferromagnetic Interactions, Frustration, and a Structural Phase Transition

Cited by

• Narrow superconducting window inLaFe1−xNixAsO
• Two-orbital quantum spin model of magnetism in the iron pnictides