Ohmic contact in monolayer InSe-metal interface

As conventional Si-based devices approach their scaling limit, it is of great significance to find new materials for future electronic logic devices. The emerging two-dimensional (2D) materials with atomic thickness have attracted intense interests for their exotic properties. However, the presence of the Schottky barrier limits their applications, which is difficult to control over due to the Fermi level pinning effect. Therefore, searching for low resistance metal contact to 2D semiconductors becomes one of the most important topics. Here, we report that Ohmic contact can be realized in a monolayer InSe–Cu system. Based on the density functional theory combined with the nonequilibrium Green's functions, the geometry, overlapping states, tunneling barrier, Schottky barrier, and band alignment at the interface of group-IB (Cu, Ag, and Au) with InSe monolayer are discussed in details. Our results reveal that Cu, the most common electrode used in the industry, shows great potential to form favorable contact with single layer InSe due to the strong interaction and high orbital overlapping. The calculated drain-source current versus bias voltage (I − V) curve exhibits linear behavior, indicating good Ohmic contact between the Cu electrodes and InSe channel. Our work may pave the way for design of next-generation ultrathin and flexible devices.