Graphene Boron Nitride electronic structure in the framework of Realistic Tight binding Model

Here in this work, an accurate realistic tight binding model has been used to investigate the electronic band structure of graphene on the top of hexagonal boron nitride substrate. Based on the density functional theory (DFT), the possibility of graphene growth on a lattice-matched hexagonal boron nitride substrate has been investigated. Up to fifth neighbor approximation, the electronic band structure of this lattice has been reproduced by fitting the tight binding hopping parameters to the DFT band structure data. Our results show that the interlayer effects are relatively weak and so, the electronic band structure of single-layer graphene is almost preserved. Due to the inequality of the carbon subsites of this system, a small gap is opened at the Dirac points of the graphene band-structure, which can be used to generate field effect transistors