2025/08/25 by Wu, Jiaqi, Pingen, Leonard Werner, Dickens, Timothy K. +1 · 3 citations
#Atomic and Molecular Clusters (physics.atm-clus) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
paper · doi:10.48550/arxiv.2508.18125
Using molecular orbital theory, we introduce magnetism in pure-carbon, charge-neutral fullerene monolayers which are otherwise non-magnetic. By controlling either molecular or lattice symmetry, we can realise highly-tuneable magnetic fullerene monolayers. We demonstrate a general design principle based on group theory analysis and explain the origin of magnetism using two representative systems with S4 and C3 molecular symmetries. Moreover, for building blocks that lack appropriate molecular symmetry, we can enforce crystalline symmetry to induce magnetism as well. Finally, we discuss the experimental feasibility of realising our proposed magnetic fullerene monolayers by examining a previously synthesised C60 system. Our work opens a new direction in introducing magnetism in non-magnetic building blocks by enforcing either molecular or lattice symmetry.