Asymmetric modulation of band structures of graphene fluoride by electric field: A DFT study

We have studied the influence of an external electric field on the band structures of graphene fluoride in C4F stoichiometry using Density Functional Theory (DFT). The electric field was applied in two different directions, field pointing towards the fluorine layer and in opposite direction pointing towards the graphene layer, normal to the plane of the bilayers. Calculations reveal that the band gaps are tunable with electric field and are modulated based on the direction of the field. The gap increases by 35 meV in one direction and decreases by 35 meV in the opposite direction at a maximum applied field of 3.3 V/nm. © 2012 IEEE