Journal of Materials Science, vol.58, no.9, pp.4020-4030, 2023 (SCI-Expanded)
Janus two-dimensional (2D) materials have been extensively studied in recent years due to their intriguing properties. Herein, we have performed the first-principles calculations to investigate optoelectronic properties of heterobilayer which have formed with monolayer SiGe and Janus Ga2SeTe. We have examined the electronic and optical properties of SiGe/Ga2SeTe heterobilayers under the biaxial strain. Similarly to graphene-based heterobilayers, we reveal that the Dirac-cone of monolayer SiGe has been preserved in both pristine and strained heterobilayers. Hence, we have also examined the Schottky barrier height (SBH) of the SiGe/Ga2SeTe heterobilayer and have found it to be n-type for the pristine case. We have depicted that the SBH of strained heterobilayer is transformed to p-type or ohmic contact. In order to carry out a comprehensive electronic study, we have examined three twisted systems that we have regarded are 7×7, 13×13, and 19×19, accordingly, we have determined the interlayer misorientation. Additionally, the entire spectrum of the imaginary part of the dielectric function has slightly shifted to infra-red (ultraviolet) regions in the presence of tensile (compressive) strains.