Single-layer Ga2O3/graphene heterogeneous structure with optical switching effect

•Bilayer heterostructure constructed by monolayer Ga2O3 and graphene is analysed using density functional theory.•The relationship between simulated binding energy and interlayer distance demonstrates a similar trend to that of other bilayer heterostructures.•In-plane optical switching effect has been observed when tuning the interlayer distance. Both single layer Ga2O3 (SLGO) and graphene are attractive due to their respective electronic and mechanical properties such as wide bandgap and high electrical conductivity. Bringing them together by using van der Waals force to form a heterogeneous structure is new and worth to investigate. In this work, density functional theory (DFT) study of SLGO/graphene has been conducted through varying the interlayer distance. Standard procedures of calculating double-layer heterostructures using DFT has been followed, and several interesting phenomena have been unveiled, for example, band opening in conduction bands of the SLGO and graphene and switching effect of the in-plane optical absorption. [Display omitted]