Strain-Induced Tunable Band Offsets in Blue Phosphorus and WSe2 van der Waals Heterostructure

The electronic structure and band offsets of blue phosphorus/WSe2 van der Waals (vdW) heterostructure are investigated via performing first-principles calculations. Blue vdW exhibits modulation bandgaps by the applied vertical compressive strain, a large strain more than 23% leads to semiconductor-to-metal transition. is demonstrated have type-II alignment, which promotes spontaneous spatial separation photo-excited electrons holes. Furthermore, concentrating in BlueP holes WSe2 can be enhanced resulting an increase carrier concentration. Therefore, these properties make good candidate for future applications photodetection.