452 / 2019-02-27 16:37:13

Electrical Properties of MoS2-Au Contact Based on the First Principle Study

Metal/molybdenum disulphide (MoS2) contacts,,Schottky barrier height (SBH),,ab initio

全体主题 > Nanoelectronics

In this paper, the characteristics of top and edge contact of MoS2-Au interface are studied and compared in both equilibrium and non-equilibrium states based on the density-functional theory (DFT) and non-equilibrium Green’s function transport theory (NEGF). Van der waals (vdW) interaction is considered in top contact. It is found that the current of edge contact is an order of magnitude larger than top contact at the same width. The density of states (DOS) of atoms in top contact has little relationship with position while it is closely related in edge contact due to more orbital overlaps. In the non-equilibrium state, the tunneling probability of the top contact increases after 0.5V, and a peak of conductance at 0.22V is observed in edge contact because of sharpen Schottky barrier width. The results will provide a useful guide to design the novel MoS2 semiconductor devices.