Abstract
Van der Waals (vdW) heterostructures enable the design of novel two-dimensional (2D) materials with customized properties, offering opportunities for creating unique optoelectronic devices. The type-II band alignment in vdW heterostructures can result in the formation of interlayer excitons (IXs) with long lifetimes, providing a crucial platform for long-lived excitonic devices. Motivated by the recent success in synthesizing the InSe and CuI monolayers, we designed a novel vdW heterostructure from the monolayers. Our results based on the many-body perturbation theory reveal that the InSe/CuI vdW heterostructure is a semiconductor with type-II band alignment, forming an IX with a binding energy of 0.50eV. The observed IX is robust against changes in stacking configuration and even spin–orbit coupling, making the heterostructure a potential candidate for the development of optoelectronic devices. Furthermore, we show that the band gap of the heterostructure is sensitive to external electric fields, so that, a transition from semiconductor to metal occurs by applying an appropriate electric field. Interestingly, the band gap of the heterostructure increases linearly by applying vertical strain. Our findings suggest that the InSe/CuI vdW heterostructure is a very promising candidate for application in optoelectronic devices.
Published Version
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