Regensburg 2019 – scientific programme
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MA: Fachverband Magnetismus
MA 23: Soft and hard permanent bulk magnets
MA 23.1: Talk
Tuesday, April 2, 2019, 14:00–14:15, H53
Nd(YCe)-based 1:12 phases – an ab intio study — •Heike C. Herper1, Olga Yu. Vekilova1, Alena Vishina1, and Olle Eriksson1,2 — 1Department of Physics and Astronomy, Uppsala University, 75120 Uppsala, Sweden — 2School of Science and Technology, Örebro University, 70182 Örebro, Sweden
The increase of environmental friendly energy production is coupled to an increasing demand of new magnetic materials and the identification of solutions based on abundant materials avoiding or reducing the amount of critical raw materials. In the present study we focus on the tetragonal 1:12 phase (TmMn12 structure) which contains 35% less RE than the commercially used NdFeB compounds. Aiming to tune the magnetic performance towards large magneto crystalline anisotropy and high Curie temperatures systematic ab initio calculations have been performed. Starting from NdFe11Z the dependence of the magnetic performance on the type and concentration of the phase stabilizing element Z has been studied. To further reduce the RE concentration simultanously possible replacements for Nd were tested. A large composition range was found to be stable and especially doping on the RE site turned out to be suitable.
The systems were characterized using a combination of different state of the art first principles methods (VASP, RSPt). Finite temperature properties were obtained from mapping the system on a spin model using UppASD.
This work is supported by the European Research Project NOVAMAG (EU686056) and the Swedish Foundation for Strategic Research.