Dresden 2026 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 34: Computational Magnetism I
MA 34.7: Vortrag
Mittwoch, 11. März 2026, 16:30–16:45, HSZ/0004
Automated Magnetism Analysis via Tensorial Interacting Spins — •Haichang Lu1,2 and Stefan Blügel3,4 — 1Fert Beijing Institute, MIIT Key Laboratory of Spintronics, School of Integrated Circuit Science and Engineering, Beihang University, Beijing, 100191, China — 2Engineering Department, Cambridge University, Cambridge CB2 1PZ, UK — 3Peter Grünberg Institut, Forschungszentrum Jülich and JARA, 52425 Jülich, Germany — 4Institute for Theoretical Physics, RWTH Aachen University, 52062 Aachen, Germany
Analyzing and describing magnetism in materials with localized moments requires accurate and generalizable spin models that go beyond conventional scalar or vector exchange interactions. Here we present AMATIS: an automated computational workflow that systematically incorporates tensorial spin interactions (non-relativistic and relativistic) into the effective Hamiltonian. Grounded in quantum spin properties and group theoretical analysis, tensorial components are extracted from the constrained least-squares fitting, ensuring fidelity to ab initio data. An integrated Monte Carlo module allows for the simulation of finite-temperature magnetic thermal equilibrium properties. We demonstrate the utility of this workflow on a series of two-dimensional magnetic materials and a van der Waals heterostructure, revealing the full spectrum of relevant tensorial interactions and their impact on magnetic properties. This approach offers a robust, high-throughput pathway from atomic structure to magnetic behavior, advancing the predictive design of novel magnetic materials.
Keywords: Magnetism; Spin Hamiltonian; 2D magnets