Quasiparticle Band Structure, Exciton, and Optical Property in Janus Structures of Transition-Metal Dichalcogenide Monolayers.

ABSTRACT: Since the first fabrication of the Janus MoSSe monolayer, this kind of polar structure has garnered incredible interest as an emerging class of two-dimensional (2D) materials. The vertical dipole in Janus MoSSe enables a range of novel applications in optics and optoelectronics. Besides MoSSe, the broad family of Janus transition-metal dichalcogenides (TMDCs) offers numerous options for diverse electronic and optical properties. Meanwhile, the coupling between strong spin-orbit effect and exciton effect could induce spin-valley excitons, which deserve further investigation in these Janus systems. In this paper, based on the first-principles density functional theory (DFT) integrated with many-body perturbation method, i.e., GW-BSE method, we study the quasiparticle electronic struct

SUBMITTER: Hu B 

PROVIDER: S-EPMC12290968 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature