Magnetism in All-Carbon Nanostructures with Negative Gaussian Curvature

Abstract

We apply the ab initio spin density functional theory to study magnetism in all-carbon nanostructures. We find that particular systems, which are related to schwarzite and contain no undercoordinated carbon atoms, carry a net magnetic moment in the ground state. We postulate that, in this and other nonalternant aromatic systems with negative Gaussian curvature, unpaired spins can be introduced by sterically protected carbon radicals.