In-plane CrI₂/CrI₃ 2D superlattices: novel electronic properties and strain induced phase transition

Abstract

Two-dimensional (2D) magnetic materials show promising applications in spintronic devices. Heterostructures and superlattices play an important role in properties tuning and device design. Vertical heterostructures of 2D magnets have been...

Two-Dimensional Magnetic Semiconducting Heterostructures of Single-Layer CrI3–CrI2

“…Figure 4c,d shows the LDOS of the interfacial and domain regions (labeled in Figure 4a,b), both of which show semiconducting properties, similar to a recent theoretical work. 46 In the domain regions away from the zigzag-30°( armchair-0°) boundary, the calculated band gaps of CrI 3 and CrI 2 are 1.25 eV (1.15 eV) and 1.17 eV (1.48 eV), respectively, which are well close to those of pristine ones (1.17 eV for CrI 3 and 1.27 eV for CrI 2 ), indicating that the supercells used in our DFT calculations are large enough to avoid possible interactions between mirror images. The band gaps are significantly smaller than those in domain regions for both boundaries, consistent with the observed STS results (Figure 3b,c).…”