Observation of mid-gap states emerging in the O-terminated interface of Cr2O3/graphene: A combined study of ab initio prediction and photoemission analysis

Controlling the interface between graphene and magnetic materials is important for spintronic applications. In this study, we investigated the electronic structure of the Cr2O3/graphene (Gr) interface using the first-principles density functional theory (DFT) calculations and angle-resolved photoemission spectroscopy (ARPES). DFT calculations predicted the mid-gap states originated from the spin-up Cr 3dz2 orbitals near the Fermi level in Oterminated type Cr2O3/graphene interface, which was experimentally confirmed by ARPES study for the first time. The mid-gap states are sensitive to the adsorption type of graphene owing to the termination-dependent hybridization. The spin channels of the mid-gap states can be switched by changing the substrate magnetization direction. Our results indicate that the interfacial band structure can be controlled by fine interfacial engineering, which paves the way for spintronic applications.

Automated summary

In this study, the electronic structure of the Cr2O3/graphene interface was investigated using first-principles calculations and experimental techniques. It was found that the mid-gap states are sensitive to the adsorption type of graphene and can be switched by changing the substrate magnetization direction.