Stable antiferromagnetic graphone

Density functional modeling of atomic structure and calculation of electronic structure of one-side one-sublattice functionalized graphene (graphone) are performed for hydrogen and fluorine adatoms. It is shown here that using fluorine for functionalization not only enhances stability of compound but also provides switch of magnetic ground state from ferro- to antiferromagnetic. Half-metallic ferromagnetic state in fluorine-based graphone is also discussed. (C) 2010 Elsevier B.V. All rights reserved.