A numerical study of Si-TMD contact with n/p type operation and interface barrier reduction for sub-5 nm monolayer MoS2 FET

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 MoS
2
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 MoS
x
junction of dichalcogenide vacancies enables Si-MoS
2
contact resistance lower than 100Ω-μm for interface Schottky barrier height reduction. The compact Si-MoS
2
interface study can potentially provide monolayer TMD contact design guideline for the sub-5 nm TMD FET fabrication technology.