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MA: Fachverband Magnetismus

MA 45: Computational Magnetism

MA 45.1: Vortrag

Freitag, 21. März 2025, 09:30–09:45, H18

Magnetic Interactions and Spin Coupling in Endohedral Fullerene Nanostructures — •Arkamita Bandyopadhyay and Jamal Berakdar — Martin-Luther-Universität Halle-Wittenberg, Karl-Freiherr-von-Fritsch-Str. 3 06120 Halle/Saale

Our work investigates the spin-spin interactions in endohedral fullerene clusters, with a particular focus on the effects of different cluster geometries (linear, triangular, and more complex arrangements). By examining various configurations, we aim to provide a deeper understanding of how the interactions between spins in these clusters are governed by both the unique structural features of the fullerene molecules and their molecular levels. Our compuational study explores the role of spin exchange interactions, the potential for spin frustration, and how these phenomena can be manipulated to achieve desired magnetic behaviors, thus it can guide the design of new materials for spintronic devices, quantum information processing, and other applications where precise control over spin-spin interactions is key.

Keywords: Endohedral Fullerene; Density functional theory; spin interaction; spin frustration; magnetic interaction