Electronic Properties and Polarization Profiles of Janus Transition Metal Dichalcogenides

In this talk, we will present our recent studies on the structural and electronic properties of Janus transition metal dichalcogenides by density functional theory calculations. For the structural properties, we identify a novel reaction path in the materials conversion from transition metal dichalcogenides monolayers to its Janus form. For the electronic properties, we calculate the electronic band structures and polarization profile of the Janus monolayer, and discuss how these electronic properties can be modified through interlayer interactions. We further connect our theoretical works to experimental measurements.