Regensburg 2019 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 55: Electron theory and micromagnetism

MA 55.13: Vortrag

Freitag, 5. April 2019, 12:45–13:00, H38

Calculation of micromagnetic parameters from atomistic simulations in presence of crystal defects — •Matteo Rinaldi, Matous Mrovec, and Ralf Drautz — ICAMS, Ruhr-Universität Bochum, Germany

The purpose of this work is to elucidate the relationship between the microstructure and the magnetic properties of electrical steels (Fe-Si) using scale-bridging computational techniques that combine atomistic simulations with mesoscopic micromagnetic framework. The relevant parameters for the micromagnetic model (build up from the Landau-Lifshitz-Gilbert and the Landau-Lifshitz-Bloch equations) will be calculated with atomistic techniques such as density functional theory(DFT) and tight-binding(TB) models. The parameters analyzed are the spin-wave stiffness constant and the prefactors in the expression for the magnetocrystalline anisotropy. For the calculation of these quantities some of the available methods will be tested in both frameworks (TB and DFT). This combination enables simulations of extended defects (such as dislocations, grain and phase boundaries, interfaces) that are crucial for the microstructure and the study of their influence on the micromagnetic parameters. The micromagnetic calculations will be subsequently employed and compared with experimental data.