Improving Performances of In-Plane Transition-Metal Dichalcogenide Schottky Barrier Field-Effect Transistors

Monolayer Schottky barrier (SB) field-effect transistors based on the in-plane heterojunction of 1T/1T'-phase (metallic) and 2H-phase (semiconducting) transition-metal dichalcogenides (TMDs) have been proposed following the recent experimental synthesis of such devices. By using density functional theory and ab initio simulations, intrinsic device performance, sub-10 nm scaling, and performance boosting of MoSe₂, MoTe₂, WSe₂, and WTe₂, SB field-effect transistors are systematically investigated. We find that the Schottky barrier heights (SBHs) of these in-plane 1T(1T')/2H contacts are proportional to their band gaps: the bigger band gap corresponds to bigger SBH. For four TMDs, the SBH of 1T/2H contact is always smaller than that of 1T'/2H contact. The WTe₂ SB field-effect transistor can provide the best performance and satisfy the requirement of the high-performance transistor outlined by the International Technology Roadmap for Semiconductors down to a 6 nm gate length. In addition, the replacement of suitable 1T-TMD on the source/drain regions can modulate conduction band SB, leading to the 8.8 nm WSe₂ SB field-effect transistor also satisfying the requirement. Moreover, the introduction of the underlap can increase the effective channel length and reduce the coupling between the source/drain and the channel, leading to the 5.1 nm WTe₂ SB field-effect transistor also satisfying the International Technology Roadmap for Semiconductors high-performance requirement. The underlying physical mechanisms are discussed, and it is concluded that the in-plane SB engineering is the key point to optimize such two-dimensional devices.