Electric field modulation of electronic structures in InSe and black phosphorus heterostructure

The electronic structures of InSe and black phosphorus (BP) heterostructure modulated by an external electric field (E⊥) have been investigated based on first-principles calculations. We find that InSe/BP has type II band offset with a direct band gap of 0.39 eV, and the electrons (holes) are spatially located in InSe (BP) layer. Meanwhile, the band structures of InSe/BP can be effectively modulated by E⊥. The band gap shows linear variation with E⊥ and its maximum of 0.69 eV is observed when E⊥ is 0.4V/Å. The InSe/BP experiences a transition from semiconductor to metal with E⊥ of −0.6 and 0.8V/Å. The band offsets are also modulated by E⊥, resulting in different spatial distribution of electron-hole pairs. Most importantly, the high carrier mobility can be preserved well under E⊥. Our results show that the novel InSe/BP heterostructure has great potential application in electronic and optoelectronic devices.