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Title: Borderline Magnetism: How Adding Mg to Paramagnetic Ce Co 3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy

Abstract

A recent experimental study [Phys. Rev. Appl. 9, 024023 (2018)] on paramagnetic CeCo 3 finds that magnesium alloying induces a ferromagnetic transition with intrinsic properties large enough for permanent magnet applications. Here we explain these surprising results via a first-principles study of the electronic structure and magnetism of magnesium-alloyed CeCo 3. We find the origin of this magnesium-induced ferromagnetic transition to be Stoner physics—the substantial increase in the Fermi-level density of states N(E F) with Mg alloying. Here, our calculations suggest that both Ce and Co atoms are likely to be important for generating large magnetic anisotropy suggesting the viability of Co-3d and Ce-4f interaction for the generation of magnetic anisotropy in magnetic materials. These results offer a route to the discovery of ferromagnetic materials and provide fundamental insight into the magnetic properties of these alloys.

Authors:
 [1];  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1471925
Alternate Identifier(s):
OSTI ID: 1471445
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Applied
Additional Journal Information:
Journal Volume: 10; Journal Issue: 3; Journal ID: ISSN 2331-7019
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats

Pandey, Tribhuwan, and Parker, David S. Borderline Magnetism: How Adding Mg to Paramagnetic CeCo3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy. United States: N. p., 2018. Web. doi:10.1103/PhysRevApplied.10.034038.
Pandey, Tribhuwan, & Parker, David S. Borderline Magnetism: How Adding Mg to Paramagnetic CeCo3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy. United States. doi:10.1103/PhysRevApplied.10.034038.
Pandey, Tribhuwan, and Parker, David S. Wed . "Borderline Magnetism: How Adding Mg to Paramagnetic CeCo3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy". United States. doi:10.1103/PhysRevApplied.10.034038. https://www.osti.gov/servlets/purl/1471925.
@article{osti_1471925,
title = {Borderline Magnetism: How Adding Mg to Paramagnetic CeCo3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy},
author = {Pandey, Tribhuwan and Parker, David S.},
abstractNote = {A recent experimental study [Phys. Rev. Appl. 9, 024023 (2018)] on paramagnetic CeCo3 finds that magnesium alloying induces a ferromagnetic transition with intrinsic properties large enough for permanent magnet applications. Here we explain these surprising results via a first-principles study of the electronic structure and magnetism of magnesium-alloyed CeCo3. We find the origin of this magnesium-induced ferromagnetic transition to be Stoner physics—the substantial increase in the Fermi-level density of states N(EF) with Mg alloying. Here, our calculations suggest that both Ce and Co atoms are likely to be important for generating large magnetic anisotropy suggesting the viability of Co-3d and Ce-4f interaction for the generation of magnetic anisotropy in magnetic materials. These results offer a route to the discovery of ferromagnetic materials and provide fundamental insight into the magnetic properties of these alloys.},
doi = {10.1103/PhysRevApplied.10.034038},
journal = {Physical Review Applied},
number = 3,
volume = 10,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

FIG. 1 FIG. 1: Schematic representation of the crystal structures of CeCo3. Nonequivalent Ce atoms are shown in magenta (Ce-3a) and cyan color (Ce-6c). The Nonequivalent Co-3b, and 6c, and 18h sites are shown by orange, green, and blue spheres, respectively. (b) The primitive cell used for calculating the properties.

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