Electronic and Dielectric Properties of MoS_2-MoX_2 Heterostructures

摘要

We present a comparative study of electronic and dielectric properties of MoS_2-MoX_2 heteostructures (where X=S, Se, Te) within the framework of density functional theory (DFT). Electronic band structure, real & imaginary part of dielectric function, electron energy loss spectra and static dielectric constant have been calculated for each system and compared with one another. A systematic decrease/increase in band gap/static dielectric constant is observed as the X changes from S to Te. These results provide a physical basis for the potential applications of these heterostructures in optoelectronic devices.