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MA: Fachverband Magnetismus
MA 57: Posters Magnetism II
MA 57.29: Poster
Donnerstag, 19. März 2020, 15:00–18:00, P3
Efficient Simulation of Powder Magnetism in Single Molecule Magnets — •Hetti M. Jayawardena1, Julius Mutschler1, Christopher E. Anson2, Annie K. Powell2, and Oliver Waldmann1 — 1Physikalisches Institut, Universität Freiburg, Germany — 2Institut für Anorganische Chemie, Universität Karlsruhe, KIT, Germany
The possibility for unique applications of Single-Moleculer Magnets (SMMs), e.g. in data storage devices, drives researchers to study their quantumscale behavior in greater depth. Their magnetic properties can be studied by a variety of techniques, but powder magnetization is undoubtely the most frequently employed technique. Simulating and fitting the powder magnetization curves in heterometalic 3d-4f metal clusters is challenging due to the presence of a large number of ligand field parameters, powder averaging, and relatively large Hilbert space dimensions. This leads to a massive number of diaganalization steps (ca 107) and expected computation times of several 100 days, even for "small" systems such as Mn2Ln2 SMMs. In this poster we demonstrate that exploiting sparse matrix techniques and iterative methods for simulating the experimental low temperature powder magnetization data, allows us to reduce the effort by a factor of ∼1000, making the fits practical.