High-throughput and data-mining approach to predict new rare-earth free permanent magnets

Alena Vishina, Olga Yu. Vekilova, Torbjörn Björkman, Anders Bergman, Heike C. Herper, Olle Eriksson

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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 Inorganic Crystal Structure Database, together with tailored search criteria and electronic structure calculations of magnetic properties. Our results suggest that it is possible to find candidates for rare-earth free permanent magnets using a data-mining/data-filtering approach. The most promising candidates identified here are Pt2FeNi, Pt2FeCu, and W2FeB2. We suggest these materials to be a good platform for further investigations in the search of novel rare-earth free permanent magnets.

Original languageUndefined/Unknown
Pages (from-to)
JournalPhysical Review B
Publication statusPublished - 2020
MoE publication typeA1 Journal article-refereed

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