Regensburg 2022 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 11: Computational Magnetism 1

MA 11.1: Vortrag

Montag, 5. September 2022, 15:00–15:15, H48

Monte Carlo modeling of magnetic crystals from graphical input — Michael Giger, •Amadé Bortis, Manfred Fiebig, and Thomas Lottermoser — Department of Materials, ETH Zurich

Magnetism in crystals can be described by a spin Hamiltonian which contains all the magnetic interactions between spins. The resulting magnetic properties of the material, like the spin-ordering or the critical behavior, can be derived from Monte Carlo simulations. The correct and efficient implementation of such a Hamiltonian into a computer program for the simulation is error-prone and time-consuming. Here, we present a tool where the magnetic interactions can be defined by connecting atoms in a three-dimensional visualization of a crystal. Our software then automatically generates an efficient code for the Monte Carlo simulations. All simulation parameters can be set in a graphical user interface. We will showcase our software by reproducing the magnetic order in the prototypical antiferromagnet Cr₂O₃ as an example. Our tool thus makes Monte Carlo simulations of complex spin systems more accessible to non-specialist users.