Thermodynamics and Magnetism of YCo5 Compound Doped with Fe and Ni: An Ab Initio Study
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.
- Research Organization:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE; USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC52-07NA27344
- OSTI ID:
- 1656683
- Alternate ID(s):
- OSTI ID: 1782517
- Report Number(s):
- LLNL-JRNL--812221; PII: app10176037
- Journal Information:
- Applied Sciences, Journal Name: Applied Sciences Journal Issue: 17 Vol. 10; ISSN 2076-3417; ISSN ASPCC7
- Publisher:
- MDPI AGCopyright Statement
- Country of Publication:
- Switzerland
- Language:
- English
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