Asymmetric carrier accumulation in van der Waals heterostructures of MoS2/WS2 under an external electric field

Abstract

We investigated the electronic properties of bilayer van der Waals heterostructures consisting of MoS2 and WS2 under an external electric field using the density functional theory with the effective screening medium method. Our calculation shows that carrier accumulation in the heterostructures strongly depends on the mutual arrangement of MoS2 and WS2 with respect to the counter electrode. We further demonstrate that carrier accumulation also depends on the carrier species, biaxial strain, and interlayer stacking arrangement because of the band alignment near the band gap attributed to interlayer orbital hybridization.