Electronic and optical properties of boron phosphide/blue phosphorus heterostructures.

The van der Waals (vdW) heterostructures are emerging as promising structures for future possible optoelectronic devices. Motivated by the recent studies on vdW heterostructures with their fascinating physical properties, we investigate the electronic and optical properties of boron phosphide/blue phosphorus heterostructures in the framework of density functional theory (DFT) and tight-binding (TB) approximations. We analyze the variation of the energy band gap, the characteristics of the energy band diagram, charge redistribution by stacking and the electrostatic potential along the perpendicular direction.