Study on Electronic and Optical Properties of Graphene Oxide Under an External Electric Field From First-principles

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Abstract Electronic and optical properties of graphene oxide (GO), under an external electric field (Eext) applied in three directions of space (x, y, z), are investigated using the density functional theory (DFT). The application of the Eext, causes a significant modifications to the electronic and optical properties of GO material. It has change the band gap, total density of states (TDOS), partial density of states (PDOS), absorption coefficient (α), dielectric function, optical conductivity, refractive index and loss function. The band gap of GO layer increases under the effects of the Eext, applied in x and y directions. On the other hand, for z direction, the band gap decreases by the effects of the Eext. The peaks of the TDOS around the Fermi level, change by the Eext applied in (x, y, z) directions. The α peaks of the GO sheet, decreases by the Eext applied in x direction, and increases if Eext applied in y and z directions. It is found that, the electronic and optical properties of GO layer, could be affected by the effects of the Eext and by its direction of application.

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