SKM 2023 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 21: Spin-Dependent Phenomena in 2D
MA 21.6: Vortrag
Dienstag, 28. März 2023, 16:30–16:45, HSZ 403
Interaction parameters in magnetic 2D systems from symmetric invariants — •Jonathan Kipp1,2, Yuriy Mokrousov2,3, and Fabian R. Lux3 — 1Department of Physics, RWTH Aachen University, 52056 Aachen, Germany — 2Institute for Advanced Simulation, Forschungszentrum Jülich Wilhelm-Johnen-Straße, 52428 Jülich — 3Institute of Physics, Johannes Gutenberg University Mainz, 55099 Mainz, Germany
The electronic properties of 2D materials hosting complex magnetic order can have crucial implications for information storage and processing applications. At the heart of the complexity in these materials is the interplay of external fields, fluctuations and electronic structure with the magnetic properties. In this work, we are aiming to uncover the direct implications that changes in the magnetic texture have on the electronic characteristics of the system. We develop an expansion in terms of the textures symmetric invariants and compare to data obtained from Heisenberg Hamiltonians, tight-binding (TB) calculations or possibly even density functional theory (DFT) calculations by employing a machine learning (ML) algorithm for the fitting task. Specifically, this enables us to identify the relevant interaction terms from the expansion to the total energy, since there is a diverse palette of ML fitting algorithms aiming at sparse models with the smallest possible number of coefficients, including regularized and sequential approaches.