Quantum simulations of MoS₂ field effect transistors including contact effects

Two-dimensional (2D) materials have attracted considerable interest for use as channel material in field-effect transistors (FETs) due to their potential for high packing densities and efficient electrostatic control. However, achieving low contact resistances remains a significant challenge for integrated circuit manufacture. This study presents a methodology that enables device simulations explicitly including the effects of contact stacks within a quantum mechanical framework. A means for optimizing device structures including contact effects is demonstrated and validated against experimental and ab initio data for metal–semimetal–semiconductor contacts for optimizing source/drain resistance in monolayer molybdenum disulfide (ML-MoS₂) FETs.