The interfacial properties of SrRuO3/MoS2 heterojunction: a first-principles study

First-principles calculation was used to study the interfacial properties of the SrRuO3 (1 1 1)/MoS2 (root 3 x root 3) heterojunction. It is found that the huge magnetic moments in of monolayer MoS2 largely originate from the Ru-S hybridization for the Ru-terminated interface. Moreover, for the SrO-terminated interface, we studied mainly the metal and semiconductor contact characteristic. The calculated results show that the Schottky barrier height can be significantly reduced to zero for the SrO-terminated interface. Schottky barrier heights dominate the transport behavior of the SrRuO3/MoS2 interface. Our results not only have potential applications in spintronics devices, but also are in favour of the scaling of field effect transistors.