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Title: Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates

Abstract

We present a first-principles investigation of the electronic structure and physical properties of doped lithium nitridometalates Li 2(Li 1-xM x)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 L 2,3 spectra inmore » LiFeN are also predicted.« less

Authors:
 [1];  [1]
  1. Ames Laboratory
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1166780
Report Number(s):
IS-J 8465
Journal ID: ISSN 1098-0121; PRBMDO; ArticleNumber: 094406
DOE Contract Number:  
DE-AC02-07CH11358
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 90; Journal Issue: 9
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Antropov, Vladimir P, and Antonov, Victor N. Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates. United States: N. p., 2014. Web. doi:10.1103/PhysRevB.90.094406.
Antropov, Vladimir P, & Antonov, Victor N. Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates. United States. doi:10.1103/PhysRevB.90.094406.
Antropov, Vladimir P, and Antonov, Victor N. Mon . "Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates". United States. doi:10.1103/PhysRevB.90.094406.
@article{osti_1166780,
title = {Colossal anisotropy of the magnetic properties of doped lithium nitrodometalates},
author = {Antropov, Vladimir P and Antonov, Victor N},
abstractNote = {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.},
doi = {10.1103/PhysRevB.90.094406},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 9,
volume = 90,
place = {United States},
year = {Mon Sep 01 00:00:00 EDT 2014},
month = {Mon Sep 01 00:00:00 EDT 2014}
}