paper

Strong magnetization and Chern insulators in compressed graphene/CrI van der Waals heterostructures

arXiv:1710.06324 · doi:10.1103/PhysRevB.97.085401

Abstract

Graphene-based heterostructures are a promising material system for designing the topologically nontrivial Chern insulating devices. Recently, a two-dimensional (2D) monolayer ferromagnetic insulator CrI was successfully synthesized in experiments [Huang et al., Nature 546, 270 (2017)]. Here, these two interesting materials are proposed to build a heterostructure (Gr/CrI). Our first-principles calculations show that the system forms a van der Waals (vdW) heterostructure, relatively facilely fabricated in experiments. A Chern insulating state is acquired in the Gr/CrI heterostructure if the vdW gap is compressed to certain extents by applying an external pressure. Amazingly, very strong magnetization (about 150 meV) is found in graphene, induced by the substrate CrI, despite the vdW interactions between them. A low-energy effective model is employed to understand the mechanism. The work functions, contact types, and band alignments of the Gr/CrI heterostructure system are also studied. Our work demonstrates that the Gr/CrI heterostructure is a promising system to observe the quantum anomalous Hall effect at high temperatures (up to 45 K) in experiments.

9 pages, 5 figures

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