Tunable electronic structures in BP/MoSSe van der Waals heterostructures by external electric field and strain

Motivated by the successful preparations and extraordinary properties of blue phosphorus (BP) and Janus MoSSe monolayer, we constructed the van der Waals (vdW) heterostructures composed of BP and Janus MoSSe monolayer denoted by BP-SMoSe and BP-SeMoS, respectively, investigated their electronic structures and the effects of external electric field and strain. We find that the BP-SMoSe vdW heterostructure exhibits type-I band alignment, while the BP-SeMoS vdW heterostructure shows type-II band alignment. Moreover, the bandgap and band alignment of BP-SMoSe and BP-SeMoS vdW heterostructures can be tuned effectively by applying external electric field and strain. The results indicate that these BP/MoSSe vdW heterostructures will have great applications in multi-functional device.