4.6 Article

Thermodynamics and Magnetism of YCo5Compound Doped with Fe and Ni: An Ab Initio Study

Journal

APPLIED SCIENCES-BASEL
Volume 10, Issue 17, Pages -

Publisher

MDPI
DOI: 10.3390/app10176037

Keywords

density-functional theory; thermodynamic modeling; rare earths; permanent magnets; anisotropy; curie temperature; enthalpy

Funding

  1. Critical Materials Institute, an Energy Innovation Hub - US Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office

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YCo(5)permanent magnet exhibits high uniaxial magnetocrystalline anisotropy energy and has a high Curie temperature. These are good properties for a permanent magnet, but YCo(5)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.

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