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MA: Fachverband Magnetismus

MA 7: Bulk Magnetic Materials and Magnetic Particles/Clusters

MA 7.3: Vortrag

Montag, 18. März 2024, 10:00–10:15, EB 407

Data-Mining Search for Rare-Earth-Free Permanent Magnets Among Predicted Crystal Structures — •Alena Vishina, Olle Eriksson, and Heike C. Herper — Department of Physics and Astronomy, Uppsala University, Sweden

Magnetic materials for energy applications (e.g. electric motors and wind turbines) is a boosting area of research, as many compounds used nowadays are based on undesirable expensive and environmentally-challenging rare earth (RE) elements. At the same time, with the increasing power of supercomputers and recent developments in machine-learning, new stable and metastable materials are being predicted that have never been synthesized before. The databases of such materials are an open field for data-mining searches for specific material properties.

One of the aforementioned databases [1] was used as an input for our recent investigation [2]. Filtering through around a million of compounds, we were searching for stable and meta-stable (likely to be synthesizable) materials with high magnetization, large uniaxial magnetocrystalline anisotropy, and high Curie temperature. The promising candidates were also tested for dynamic stability. Four systems were found that should be further explored as the candidates novel RE-free PMs - Ta3ZnFe8, AlFe2, Co3Ni2, and Fe3Ge.

Ref. 1. J. Schmidt et al, Materials Cloud archive 2022.126 (2022) 2. A. Vishina et al, Acta Materialia, 261, 119348 (2023)

Keywords: data-mining; rare-earth-free; permanent magnets; dft; magnetism