Tunable Band Alignment in the Arsenene/WS2 Heterostructure by Applying Electric Field and Strain

Arsenene has received considerable attention because of its unique optoelectronic and nanoelectronic properties. Nevertheless, the research on van der Waals (vdW) heterojunctions based arsenene just begun, which hinders application in fields. Here, we systemically predict stability electronic structures arsenene/WS2 vdW heterojunction first-principles calculations, considering stacking pattern, electric field, strain effects. We found that heterostructure possesses a type-II band alignment. Moreover, field can effectively tune both gap alignment type. Additionally, could be tuned by strain, while type is robust under strain. Our study opens up new avenue for ultrathin arsenene-based heterostructures future nano- optoelectronics applications. demonstrates offers candidate material devices.