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Regensburg 2019 – scientific programme

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MA: Fachverband Magnetismus

MA 23: Soft and hard permanent bulk magnets

MA 23.2: Talk

Tuesday, April 2, 2019, 14:15–14:30, H53

Ab initio Study of Magnetic Properties of Rare-Earth lean 1:12 Alloys — •Olga Vekilova1, Olle Eriksson1,2, and Heike C. Herper11Department of Physics and Astronomy, Uppsala University — 2School of Science and Technology, Orebro University

Since the discovery of Nd2Fe14B, the best permanent magnet to date, magnets containing the combination of rare earth elements and Fe attract high scientific interest. The iron-rich compounds are specifically attractive as they have large magnetic moments due to the high concentration of Fe, rather high coercivity and high Curie temperature. One of the best candidates are the 1:12 compounds with the ThMn12-type structure. It has been shown that light rare earths and iron cannot form a stable binary 1:12 compound, so a third element must be added to stabilize the ternary RE(Fe,M)12 phase, where M=Ti, V, Si, Mo and etc. Such substitution results in a significant decrease in the saturation magnetization and can influence magnetocrystalline anisotropy and Curie temperature of the alloy. Recent experiments show that it is possible to stabilize the 1:12 phases with reduced concentrations of M. Magnetic properties of the 1:12 compounds were studied theoretically from first principles. Starting from the known stable SmFe10V2 and NdFe11Ti we improved the magnetic properties by reducing the content of V and Ti respectively. The phase stabilities, magnetizations, Curie temperature, magnetocrystalline anisotropies of NdFe12−xTix and SmFe12−xVx were calculated and compared to the available experimental data. This work is supported by the European Research Project NOVAMAG (EU686056) and STandUP for energy (Sweden).

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