Dresden 2017 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 56: Bulk Materials: Soft and hard permanent magnets
MA 56.9: Vortrag
Donnerstag, 23. März 2017, 17:15–17:30, HSZ 403
High-throughput density functional screening for permanent magnet materials — •Ingo Opahle — TU Darmstadt, Germany
High-throughput density functional calculations are used to search for candidates for new rare earth free permanent magnet materials. The key quantity here is the magneto-crystalline anisotropy energy (MAE), which sets an upper bound to the coercivity. The concept is explained at hand of the well-known Co-Pt system. It is shown that a considerably higher MAE than in the known L10 structure is possible, provided meta stable crystal structures can be stabilized, e.g by addition of a suitable element. Applications to further systems will be shown as well.