Optimizing Contact Performance for Monolayer Transition Metal Dichalcogenide Field Effect Transistors: A First Principles Study

Ken-Ming Lin^1*, Po-Ting Yeh¹, Yu-Chang Chen¹

¹Electrophysics, National Yang Ming Chiao Tung University, Hsinchu, Taiwan

* Presenter:Ken-Ming Lin, email:ken.ming.lin@gmail.com

Contact resistance between metal leads and monolayer transition metal dichalcogenides is a crucial issue for developing next generation field-effect transistors. An aim of our studies was to decrease the contact resistance by substituting the halogen atoms on interface and evaluating the effects of different interface geometry. The density functional theory and non-equilibrium Green’s function were used to calculate the transmission coefficient. The Landauer formula was perform to obtain the transmission current for different drain-source and bias voltage at finite temperature. Results indicate that the halogen substitution increased the transmission current significantly for the edge contacts. We recommend that the approach outlined in this study be replicated in other experimental plants.

Keywords: transition metal dichalcogenides, Non-Equilibrium Green Function, quantum transport, Density Functional Theory