Strain forces tuned the electronic and optical properties in GaTe/MoS(2) van der Waals heterostructures

Two-dimensional (2D) van der Waals heterostructures (vdWHs) have attracted widespread attention in fundamental materials science and device physics. In this work, we report a novel GaTe/MoS(2) vdWH and theoretically investigate the electronic and optical properties based on first-principles calculations. GaTe/MoS(2) vdWH possesses an indirect band gap with type-II band alignment. Meanwhile, the interfacial charge transfer from MoS(2) to GaTe can effectively separate electrons and holes. Also, this vdWH shows improved visible-ultraviolet optical absorption properties compared with those of the isolated GaTe or MoS(2) monolayers. More remarkably, the biaxial strain can not only modulate the band gap but also enhance the optical performance in GaTe/MoS(2) vdWH. In particular, the tensile strain is more effective for improving the optical absorption in the visible light region. These findings indicate that GaTe/MoS(2) vdWH is a promising candidate for nanoelectronics and optoelectronic devices.