Regensburg 2019 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 39: Structural Materials (Steels, light-weight materials, high-temperature materials)

MM 39.6: Vortrag

Donnerstag, 4. April 2019, 17:00–17:15, H45

Magneto-crystalline anisotropy and magnetostriction of Fe₂Ti — •Agnieszka L. Kozub^{1, 2}, Alexander B. Shick², and Dominik Legut³ — ¹Universität Paderborn, Paderborn, Germany — ²Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic — ³IT4Innovations National Supercomputing Center VSB - Technical University Ostrava, Ostrava, Czech Republic

In comparison to the classical ferromagnets, the studies of magnetostriction of antiferromagnets are limited and gained recent attention. In this work we present a theoretical study of magnetic properties of Fe₂Ti, an antiferromagnet which crystallize in hexagonal C14 Laves phase. Calculations were performed in the framework of the density functional theory using generalized gradient approximation. We focus on magnetic properties of the compound, i.e. to determine its magnetic structure, and to compute magneto-crystalline anisotropy. From the magnetic anisotropy dependence of the lattice strain we estimate magnetostrictive coefficients. Finally, we investigate the effect of under- and over- stoichiometric composition of Fe_100−xTi_x on the magnetostriction.