Magnetic Properties and Diffusion of Adatoms on a Graphene Sheet

Abstract

We use ab initio methods to calculate the properties of adatom defects on a graphite surface. By applying a full spin-polarized description to the system we demonstrate that these defects have a magnetic moment of about $0.5{\mu }_B$ and also calculate its role in diffusion over the surface. The magnetic nature of these intrinsic carbon defects suggests that it is important to understand their role in the recently observed magnetism in pure carbon systems.