Magnetic properties of double-side partially fluorinated graphene from first principles calculations

Density functional theory calculations were used to study the structural, electronic, and magnetic properties of double-side partially fluorinated graphene. Both even and uneven fluorinated structures examined. It is found that midgap states and magnetic moments only appear in the uneven double-side fluorinated graphene. The magnetic moments mainly come from the carbon atoms at the edge of the fluorinated region in unevenly double-side fluorinated graphene. The dependence of magnetic moments on external tensile strain was also examined, which shows that the induced magnetic moments can be significantly increased by increasing the tensile strain. (C) 2015 Elsevier Ltd. All rights reserved.