期刊
PHYSICAL REVIEW LETTERS
卷 101, 期 12, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.101.126401
关键词
-
资金
- NSF [DMR-0605769]
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 mu(B)-0.35 mu(B) per Fe and a z projection of 0.06 mu(B), both of which are in agreement with experiment.
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