Electronic contact properties for Janus MoSiN₃H/Graphene heterostructure

Abstract Achieving ohmic contact between metals and semiconductors helps to achieve efficient electrical connections and excellent device performance. Based on density functional theory, we investigated the contact properties between MoSiN 3 H and Graphene electrodes. The research results reveal that since MoSiN 3 H is of Janus structure, different contact surfaces exhibit distinct contact properties when in contact with Graphene. When the hydrogen atom ends of MoSiN 3 H come into contact with Graphene, they can directly form p-type ohmic contact. However, when the nitrogen atom end of MoSiN 3 H comes into contact with graphene, an n-type Schottky contact is formed. Adjusting the interlayer distance or applying an external electric field can control the Schottky barrier height and contact type. Our research provides guidance for the fabrication of MoSiN 3 H nanodevices based on graphene electrodes and lays the foundation for the wide application of Janus two-dimensional semiconductors.