Contact Resistance and Two-dimensional Transport Properties of Transition Metal Dichalcogenides: A First Principles Study

Ken Ming Lin^1*, Hamideh Vaezi¹, Yu Chang Chen¹

¹Department of Electrophysics, National Chiao Tung University, Hsinchu, Taiwan

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

Two-dimensional (2D) Transition Metal Dichalcogenides (TMDs) have drawn great attention due to its advanced transport properties. In a real application, 2D TMDs needs contacts with metal electrodes. However, contact resistance decreases the current density due to a Schottky barrier height. Several studies show that contact resistance can be reduced by insertion of a buffer layer, metallization the semiconductor TMDs near the interface of TMDs and metals or choosing suitable metals to form Ohmic contacts between interfaces. Most researchers found that there are lower potential barriers on the interfaces to investigate the potential profiles of barriers or exam the increment of project density of states near the Fermi energy of the system. However, contact resistance is still unknown numerically by density functional theory. The purpose of the present work is to study the current density between selected TMDs and metals by non-equilibrium Green’s function (NEGF) to estimate the current density quantitatively with different temperatures and bias voltages. Our calculation results may provide a suggestion for experimenters.

Keywords: Contact resistance, Transport properties, Two-dimension material, Transition metal dichalcogenides , First principles