Regensburg 2025 – scientific programme
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MA: Fachverband Magnetismus
MA 30: Bulk Materials: Soft and Hard Permanent Magnets
MA 30.4: Talk
Wednesday, March 19, 2025, 17:00–17:15, H18
Combined theoretical and experimental study of magnetic properties of Fe-Sn intermetallics — •Martin Friák1, Petr Čípek1,2, Pavla Roupcová1, Oldřich Schneeweiss1, Jana Pavlů2, Dominika Fink3, Šárka Msallamová3, and Alena Michalcová3 — 1Inst. Phys. Mater., Czech Acad. Sci., Brno, Czech Rep. — 2Dept. Chem., Masaryk Uni., Brno, Czech Rep. — 3Dept. Metal Corr. Eng., Uni. Chem. Technol. Prague, Czech Rep.
There are conflicting literature reports related to Fe-Sn intermetallic phases, when, for example, the FeSn2 phase is theoretically predicted to be dynamically unstable due to imaginary phonon modes (see, e.g, C.-J. Yu et al., New J. Chem. 44 (2020) 21218, DOI:10.1039/d0nj04537c). We have, therefore, performed a combined theoretical and experimental study of both FeSn2 and FeSn intermetallics. The theoretical part consists of quantum-mechanical calculations of ground-state properties, including structural, vibrational and magnetic properties. Computing phonon modes allowed for testing the dynamic stability and the thermodynamic properties were subsequently assessed using quasi-harmonic approximation (QHA). The FeSn2 phase is computed stable, i.e., free of imaginary phonon modes. We have also characterized Fe-Sn phases using Mössbauer measurements of magnetic properties, including a temperature-dependent Mössbauer factor, which we compared with theoretical results based on quantum-mechanical calculations of thermal vibrations.
Keywords: quantum-mechanical calculations; magnetic properties; Moessbauer measurements; temperature dependence; phonons