A Numerical Study of Si-TMD Contact with n/p Type Operation and Interface Barrier Reduction for Sub-5 nm Monolayer MoS2 FET

Abstract

An atomic-scale numerical study of Si contact with transition metal dichalcogenides (TMD) semiconductor materials is proposed by first-principles simulation for the first time. The monolayer MoS2 channel can be operated as both of n- and p-type FET by properly doping Si S/D to adjust the TMD channel potential. The gradient MoSx junction of dichalcogenide vacancies enables Si-MoS2 contact resistance lower than 100 Omega-mu m for interface Schottky barrier height reduction. The compact Si-MoS2 interface study can potentially provide monolayer TMD contact design guideline for the sub-5 nm TMD FET fabrication technology.