Electronic and optical properties of TMDs/Hg0.33Cd0.66Te

It is challenging to tune absorption of nanomaterials in the visible region for using them in optoelectronics applications. Heterostructures of transition metal dichalcogenides WS₂, WSe₂, MoS₂, MoTe₂, MoSe₂, monolayers, and mercury cadmium telluride are investigated and calculations have been performed using density-functional theory with Van der Waals interaction. The results so obtained show that the monolayer of WS₂, WSe₂, MoS₂, MoSe₂, and MoTe₂ has an absorption in the range of ~ 410–690 nm for the visible spectrum. For HgCdTe ~ 410–450 nm. However, for the heterostructure absorption rises along with wavelength and gets pushed towards the deep red end resulting in the redshift phenomenon. Strong absorption can be observed in the spectrum range of ~ 710–1050 nm for all the heterostructure. With high absorption in the visible red region may find various applications in the optical devices Schottky barrier solar cell absorbers.