Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study
YCo<sub>5</sub> permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo<sub>5</sub> has a low energy product, which is notably insufficient for a permanent magnet....
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MDPI AG
2020-08-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/10/17/6037 |
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| author | Alexander Landa Per Söderlind Emily E. Moore Aurelien Perron |
| author_facet | Alexander Landa Per Söderlind Emily E. Moore Aurelien Perron |
| author_sort | Alexander Landa |
| collection | DOAJ |
| description | YCo<sub>5</sub> permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo<sub>5</sub> has a low energy product, which is notably insufficient for a permanent magnet. In order to improve the energy product in YCo<sub>5</sub>, 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, YFe<sub>3</sub>(Ni<sub>1-x</sub>Co<sub>x</sub>)<sub>2</sub>, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature. |
| first_indexed | 2024-03-10T16:40:43Z |
| format | Article |
| id | doaj.art-5714f1ff29714bd39ca32a6c66b1cab4 |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-10T16:40:43Z |
| publishDate | 2020-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj.art-5714f1ff29714bd39ca32a6c66b1cab42023-11-20T12:01:33ZengMDPI AGApplied Sciences2076-34172020-08-011017603710.3390/app10176037Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio StudyAlexander Landa0Per Söderlind1Emily E. Moore2Aurelien Perron3Lawrence Livermore National Laboratory, Livermore, CA 94551-0808, USALawrence Livermore National Laboratory, Livermore, CA 94551-0808, USALawrence Livermore National Laboratory, Livermore, CA 94551-0808, USALawrence Livermore National Laboratory, Livermore, CA 94551-0808, USAYCo<sub>5</sub> permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo<sub>5</sub> has a low energy product, which is notably insufficient for a permanent magnet. In order to improve the energy product in YCo<sub>5</sub>, 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, YFe<sub>3</sub>(Ni<sub>1-x</sub>Co<sub>x</sub>)<sub>2</sub>, is thermodynamically stable and exhibits an improved energy product without significant detrimental effects on the magnetocrystalline anisotropy energy or the Curie temperature.https://www.mdpi.com/2076-3417/10/17/6037density-functional theorythermodynamic modelingrare earthspermanent magnetsanisotropycurie temperature |
| spellingShingle | Alexander Landa Per Söderlind Emily E. Moore Aurelien Perron Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study Applied Sciences density-functional theory thermodynamic modeling rare earths permanent magnets anisotropy curie temperature |
| title | Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study |
| title_full | Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study |
| title_fullStr | Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study |
| title_full_unstemmed | Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study |
| title_short | Thermodynamics and Magnetism of YCo<sub>5</sub> Compound Doped with Fe and Ni: An Ab Initio Study |
| title_sort | thermodynamics and magnetism of yco sub 5 sub compound doped with fe and ni an ab initio study |
| topic | density-functional theory thermodynamic modeling rare earths permanent magnets anisotropy curie temperature |
| url | https://www.mdpi.com/2076-3417/10/17/6037 |
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