Abstract
We report on relationships between interlayer distances and electronic structures of hexagonal boron-nitride (h-BN) bilayers based on first-principles density-functional calculations. The energy-band structures and the band-gap values are calculated under uniaxial compressive strains along the direction perpendicular to the h-BN bilayer sheets. It is found that the band gap can be tuned by applying compressive strains uniaxially. More specifically, the band-gap value decreases with decreasing the interlayer distances between two layers of the h-BN bilayer. The behaviors of the band gaps under uniaxial strains are explained in terms of the energy-band structures.
