Electronic structure and optical properties of a new type of semiconductor material: graphene monoxide

The electronic and optical properties of graphene monoxide, a new type of semiconductor material, are theoretically studied by first-principles density functional theory. The calculated band structure shows that graphene monoxide is a semiconductor with a direct band gap of 0.95 eV. The density of states of graphene monoxide and the partial density of states for C and O are given to understand the electronic structure. In addition, we calculate the optical properties of graphene monoxide, including the complex dielectric function, absorption coefficient, complex refractive index, loss-function, reflectivity and conductivity. These results provide a physical basis for potential application in optoelectronic devices.