Band Gap Modulation by Two-Dimensional h-BN Nanostructure

Two-dimensional hexagonal boron nitride (h-BN) as a graphene-like material was investigated due to its impending applications in electronics. The h-BN band gap Eg as an important factor and its variation between bilayer ZrSe2 sheets were explored under an external electric field. The initially indirect band gap is found to convert to direct band gap by means of density functional theory. Additionally, the band gap is modulated by van der Waals...