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

Landa, Alexander; Söderlind, Per; Moore, Emily E.; Perron, Aurelien

doi:10.3390/app10176037

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

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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(Ni_1-xCo_x)₂, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature.

Authors:

; Söderlind, Per;

; Perron, Aurelien

Publication Date:: 2020-08-31

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.  doi:10.3390/app10176037.

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                    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

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                    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.

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@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}

}

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