Diamond/c-BN van der Waals heterostructure with modulated electronic structures


 In this work, the structural and electronic properties of (100), (110) and (111) diamond/c-BN heterostructures are systematically investigated by first principles calculation. The interface between diamond and c-BN shows the weak van der Waals interactions, which is confirmed by the interface distance and interface binding energy. The diamond/c-BN structures are the direct bandgap semiconductors with moderate bandgap values (0.647-2.948 eV). This work helps to promote the application of diamond in electronic and optoelectronic devices.