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MA: Fachverband Magnetismus

MA 50: Bulk Materials: Soft and Hard Permanent Magnets

MA 50.2: Vortrag

Donnerstag, 12. März 2026, 15:15–15:30, POT/0151

Transition-Metal-Induced Uniaxial Anisotropy in Fe₃Y — •M. Nur Hasan¹, Santa Pile², Rafael M. Vieira^1,3, Alexander Kovacs², Samuel RJ Holt⁴, Martin Lang⁴, Swapneel Pathak⁴, Andrea Petrocchi⁴, Hans Fangohr⁴, Thomas Schrefl², and Heike C. Herper¹ — ¹Uppsala University, Sweden — ²University for Continuing Education Krems, Austria — ³Luleå University of Technology, Sweden — ⁴MPSD, Hamburg, Germany

The rising demand for sustainable energy increases the need for rare-earth-free high-performance permanent magnets. The intermetallic compound Fe₃Y is a promising candidate due to its high saturation magnetization and Curie temperature. However, its intrinsic easy-plane magnetocrystalline anisotropy (MCA) hinders its use as a permanent-magnet material. Here, we combine first-principles density functional theory, spin-dynamics and micromagnetic simulations to explore mechanisms for reorienting the MCA toward a desired uniaxial direction through selective transition-metal doping. Our results show that Fe-site substitution, particularly with V, Zn, Nb, and Ta reverses the MCA to a uniaxial, reaching values up to 2 MJ/m³, while the Curie temperature remains unaffected by these dopants. Micromagnetic simulations reveal dopant-specific hysteresis trends and indicate that the systems maintain stability in low-temperature regimes.
Acknowledgment: This work is supported by the European Union’s Horizon Europe research and innovation programme under grant agreement No. 101135546 (MaMMoS).

Keywords: First-principles calculations; Permanent Magnets; Uniaxial Anisotropy; Spin-dynamics; Micromagnetic Simulations