A high-throughput and data-mining approach to predict new rare-earth free permanent magnets
Alena Vishina, Olga Yu. Vekilova, Torbj\"orn Bj\"orkman, Anders, Bergman, Heike C. Herper, Olle Eriksson
TL;DR
This paper employs a high-throughput data-mining approach to identify potential new rare-earth free permanent magnets among 3d-5d transition metal compounds, highlighting promising candidates for future research.
Contribution
It introduces a novel data-mining and electronic structure calculation method to efficiently discover candidate materials for rare-earth free permanent magnets.
Findings
Identified promising candidates Pt$_2$FeNi, Pt$_2$FeCu, and W$_2$FeB$_2$.
Demonstrated the effectiveness of high-throughput screening in magnetic materials discovery.
Provided a new platform for further experimental and theoretical investigations.
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 PtFeNi, PtFeCu, and WFeB. We suggest these materials to be a good platform for further investigations in the search of novel rare-earth free permanent magnets.
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