The influence of Holmium substitution on the magnetic and mechanical properties of Nd2Fe14B: a first principle study

In this study, the ab initio density functional theory (DFT) approach is used to investigate the effect of Holmium (Ho) on the magnetic and mechanical properties of Nd2Fe14B magnets. Neodymium-based permanent magnets (Nd2Fe14B) are the potential permanent magnets to be used in various applications s...

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Bibliographic Details
Published in:MATEC web of conferences 2023-01, Vol.388, p.07004
Main Authors: Mphamela Enos Baloyi, Ngoepe, Phuti, Chauke, Hasani
Format: Article
Language:English
Subjects:
Density functional theory
Electric vehicles
Field strength
First principles
Heat of formation
Holmium
Magnetic properties
Mechanical properties
Neodymium
Operating temperature
Permanent magnets
Substitutes
Wind turbines
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Summary:In this study, the ab initio density functional theory (DFT) approach is used to investigate the effect of Holmium (Ho) on the magnetic and mechanical properties of Nd2Fe14B magnets. Neodymium-based permanent magnets (Nd2Fe14B) are the potential permanent magnets to be used in various applications such as wind turbines and electric vehicles. These magnets possess high magnetic field strength and resistance to demagnetization. However, they suffer from low operating temperatures below 585 K. Substitution of Nd with Ho enhances the magnetic strength of the Nd2Fe14B permanent magnet. NdHoFe14B magnets are found to be thermodynamically stable due to negative heats of formation, which is in good agreement with the calculated density of states. Partial substitution of Nd with Ho improves the stability and the magnetic strength of Nd2Fe14B permanent magnets. The findings will provide insight into the future development of permanent magnetic compounds with good magnetic strength.
ISSN:2274-7214
2261-236X
DOI:10.1051/matecconf/202338807004