Abstract
We present an application of a high-throughput search of new rare-earth free permanent magnets focusing on 3d-5d transition metal compounds. The search involved a part of the ICSD database (international crystallographic structural database), together with tailored search criteria and electronic structure calculations of magnetic properties. Our results suggest that it possible to find candidates for rare-earth free permanent magnets using a data-mining/data-filtering approach. The most promising candidates identified here are Pt$_2$FeNi, Pt$_2$FeCu, and W$_2$FeB$_2$. We suggest these materials to be a good platform for further investigations in the search of novel rare-earth free permanent magnets.
Highlights
High performance permanent magnets are needed for a large number of applications, such as electric vehicle motors and generators, wind mills, loud speakers, and relays
The screening steps employed here allowed to single out a number of materials that have already been suggested and investigated as systems with high magnetic anisotropy in previous works [62,63,64,65,66,67,68,69]
A final comment on Table I is that when a comparison can be made, experiment and theory agree on the order of magnitude of the magnetic anisotropy energy (MAE) as well as the easy axis
Summary
High performance permanent magnets are needed for a large number of applications, such as electric vehicle motors and generators, wind mills, loud speakers, and relays. Most permanent magnets that are used today are either ferrites [1] or rare-earth (RE) containing compounds, such as Nd2Fe14B [2]. With the increase in the number of electric vehicles and the usage of wind power generators, there is a growing need to reduce or eliminate the usage of RE magnets by finding rare-earth free alternatives, which at the same time are expected to at least show the same price performance. New techniques such as machine learning [13] have been suggested in the quest for finding RE-free permanent magnets. Most of the papers devoted to this effort describe the experimental investigations of a single compound, or a smaller group of materials with similar structure [4,5,14,15,16,17,18,19,20]
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