Tunable phase stability and contact resistance of monolayer transition metal dichalcogenides contacts with metalTunable phase stability and contact resistance of monolayer transition metal dichalcogenides contacts with metal, Published online: 14 May 2018; doi:10.1038/s41699-018-0059-1Interfacial charge calculations enable the prediction of the contact resistance behaviour of MX2/metal structures. A team led by Bin Ouyang at the University of California Berkeley performed a systematic theoretical investigation of the interplay between interface interactions and phase stability in atomically thin MX2/metal systems, where M is a transition metal and X is a chalcogenide. A combination of interfacial charge calculations and contact resistance analysis allowed the identification of twenty-eight MX2/metal structures that can be further categorised in three groups according to their contact nature. Notably, the first type of contact possesses zero tunnel barrier between MX2 and the metal, whereas the second type enables substantial charge transfer accompanied to a 2H-to-1T’ structural phase transition in MX2. These results highlight viable design routes for contact resistance manipulation in MX2 transistors.
Published in: "NPJ 2D Materials and Applications".