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Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates

Journal Article · · Physical Review. B, Condensed Matter and Materials Physics
We present a first-principles investigation of the electronic structure and physical properties of doped lithium nitridometalates Li2(Li1-xMx)N (LiMN) with M = Cr, Mn, Fe, Co, and Ni. The diverse properties include the equilibrium magnetic moments, magneto-crystalline anisotropy, magneto-optical Kerr spectra, and x-ray magnetic circular dichroism. We explain the colossal magnetic anisotropy in LiFeN by its unique electronic structure which ultimately leads to a series of unusual physical properties. The most unique property is a complete suppression of relativistic effects and freezing of orbital moments for in-plane orientation of the magnetization. This leads to the colossal spatial anisotropy of many magnetic properties including energy, Kerr, and dichroism effects. LiFeN is identified as an ultimate single-ion anisotropy system where a nearly insulating state can be produced by a spin orbital coupling alone. A very nontrivial strongly fluctuating and sign changing character of the magnetic anisotropy with electronic 3d-atomic doping is predicted theoretically. A large and highly anisotropic Kerr effect due to the interband transitions between atomic-like Fe 3d bands is found for LiFeN. A giant anisotropy of the x-ray magnetic circular dichroism for the Fe K spectrum and a very weak one for the Fe L2,3 spectra in LiFeN are also predicted.
Research Organization:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
AC02-07CH11358
OSTI ID:
1166780
Report Number(s):
IS-J 8465; ArticleNumber: 094406
Journal Information:
Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 9 Vol. 90; ISSN 1098-0121; ISSN PRBMDO
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

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