Stability of boron nitride bilayers: Ground-state energies, interlayer distances, and tight-binding description

We have studied boron nitride monolayer and bilayer band structures. For\nbilayers, the ground state energies of the different five stackings are\ncomputed using DFT in order to determine the most stable configuration. Also,\nthe interlayer distance for the five different types of stacking in which\nboron-nitride bilayers can be found is determined. Using a minimal tight\nbinding model for the band structures of boron nitride bilayers, the hopping\nparameters and the onsite energies have been extracted by fitting a tight\nbinding empirical model to the DFT results.\n