SKM 2023 – wissenschaftliches Programm

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SYGM: Symposium Green Magnets for Efficient Energy Conversion

SYGM 1: Green Magnets for Efficient Energy Conversion

SYGM 1.1: Hauptvortrag

Montag, 27. März 2023, 15:00–15:30, HSZ 01

Data mining protocols for functional magnetic materials — •olle Eriksson — Uppsala University, Uppsala, Sweden

Theory of functional magnetic materials for use in permanent magnet applications or for magneto caloric cooling is described in this presentation. Using a high-throughput approach of calculations based on density functional theory together with a data-mining algorithm, several new rare-earth-free permanent magnets are reported. An interesting set of elements is found for materials containing 3d and p-elements, in particular Fe2C, Mn2MoB4, and Mn2WB4. For these systems doping protocols were also investigated and, in particular, (Fe0.75X0.25)2C (X = Mn, Cr, V, and Ti), Mn2XB4 (X = Mo and W) along with Mn2(X0.5Y0.5)B4 (X,Y = Mo, W, Ta, Cr) are suggested here as promising permanent magnets. Screening algorithms for magneto caloric materials are also discussed, and promising compounds will be presented.