Abstract
In this work, the structural, electronic, and optical properties of two-dimensional SiGe/SnI2 van der Waals (vdW) heterostructures (HSs) in stable configurations are investigated by using first-principles calculations. Our results show that, the honeycomb SiGe monolayer (ML) in the HSs exhibits a Dirac cone with a mini-gap, which well preserves its high carrier mobility but shows weak anisotropic electronic behaviors with respect to isolated group-IV MLs. Notably, the HSs exhibit enhanced ultraviolet (UV) absorption nearly independent of strain and strain-tunable Schottky barrier heights between the bilayers, which are desirable for Schottky UV photodetectors. In addition, the band structures and band alignments of the HSs can be tuned by fully hydrogenating SiGe ML for high-sensitivity UV detection in the infrared (IR) background. The SiGe/SnI2 HSs with tunable superior electronic and optical properties are useful for design, fabrication, and applications of high-performance UV detectors.
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