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Title: Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study

Abstract

YCo5 permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo5 has a low energy product, which is notably insufficient for a permanent magnet. In order to improve the energy product in YCo5, we suggest replacing cobalt with iron, which has a much bigger magnetic moment. With a combination of density-functional-theory calculations and thermodynamic CALculation of PHAse Diagrams (CALPHAD) modeling, we show that a new magnet, YFe3(Ni1-xCox)2, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature.

Authors:
ORCiD logo; ; ORCiD logo;
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1656683
Alternate Identifier(s):
OSTI ID: 1782517
Report Number(s):
LLNL-JRNL-812221
Journal ID: ISSN 2076-3417; ASPCC7; PII: app10176037
Grant/Contract Number:  
AC52-07NA27344.; AC52-07NA27344
Resource Type:
Published Article
Journal Name:
Applied Sciences
Additional Journal Information:
Journal Name: Applied Sciences Journal Volume: 10 Journal Issue: 17; Journal ID: ISSN 2076-3417
Publisher:
MDPI AG
Country of Publication:
Switzerland
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; density-functional theory; thermodynamic modeling; rare earths; permanent magnets; anisotropy; curie temperature; enthalpy

Citation Formats

Landa, Alexander, Söderlind, Per, Moore, Emily E., and Perron, Aurelien. Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study. Switzerland: N. p., 2020. Web. https://doi.org/10.3390/app10176037.
Landa, Alexander, Söderlind, Per, Moore, Emily E., & Perron, Aurelien. Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study. Switzerland. https://doi.org/10.3390/app10176037
Landa, Alexander, Söderlind, Per, Moore, Emily E., and Perron, Aurelien. Mon . "Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study". Switzerland. https://doi.org/10.3390/app10176037.
@article{osti_1656683,
title = {Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study},
author = {Landa, Alexander and Söderlind, Per and Moore, Emily E. and Perron, Aurelien},
abstractNote = {YCo5 permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo5 has a low energy product, which is notably insufficient for a permanent magnet. In order to improve the energy product in YCo5, we suggest replacing cobalt with iron, which has a much bigger magnetic moment. With a combination of density-functional-theory calculations and thermodynamic CALculation of PHAse Diagrams (CALPHAD) modeling, we show that a new magnet, YFe3(Ni1-xCox)2, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature.},
doi = {10.3390/app10176037},
journal = {Applied Sciences},
number = 17,
volume = 10,
place = {Switzerland},
year = {2020},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.3390/app10176037

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