Regensburg 2025 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 41: Poster III
MA 41.26: Poster
Donnerstag, 20. März 2025, 15:00–17:30, P3
Tunable π-magnetism in carbon-based materials — •Nan Cao1 and Adam Foster1,2 — 1Department of Applied Physics, Aalto University, Helsinki, Finland — 2WPI Nano Life Science Institute, Kanazawa University, Kanazawa, Japan
Carbon-based π-magnetic structures have gained increasing interest for their promising role in spintronics, quantum computing, and advanced magnetic materials. Tailored functionalities in these structures are desired for their diverse applications. This study presents a systematic investigation of the tunability of these structures by incorporating different chemical linkages and doping with diverse heteroatoms. Using density functional theory (DFT) calculations, we explore how different linkage types - such as single, double bonds and aromatic, antiaromatic rings - and the introduction of dopants like nitrogen, boron, and sulfur affect the magnetic properties and electronic configurations of the π-conjugated carbon frameworks. Our results show that specific linkages can enhance magnetic coupling and stability, while heteroatom doping allows for precise control over magnetic moments and bandgap modulation. Furthermore, we identify optimal combinations of linkages and dopants that maximize tunability, offering pathways for designing customized π-magnetic materials with desired properties. These analyses deepen our understanding of structure-property relationships in carbon-based π-magnetic systems and provide a practical strategy for engineering next-generation magnetic materials with customized properties.
Keywords: π-magnetism; tunability; carbon-based materials