Atomic-scale Modeling of 2D Material Based Contacts and Transistors for Nanoscale Electronics

As new materials and designs are being investigated for the development of next generation semiconductor technology nodes [1], this work focuses on atomically thin two-dimensional (2D) transition metal dichalcogenide (TMD) materials for future transistor designs [2,3]. In such devices, the metallic phase of TMDs (T') can be used as the source and drain electrodes and the semiconducting phase (H) as the channel, as shown in Figure 1.