Possible Realization of Kitaev Spin Liquids in van der Waals Heterostructures of $\alpha$-RuCl${}_3$ and Cr$X_3$ ($X$=Cl and I)

Abstract

Despite the presence of the exact solution and well-established recipe for its realization, the quest for the Kitaev spin liquid in real materials remains exceptionally challenging. Among many magnets, $\alpha$-RuCl${}_3$ emerges as a prime candidate, albeit the hallmarks of the spin liquid manifest only within the specific region where the zigzag-type antiferromagnetic order is suppressed by an applied magnetic field. Here, we propose the possible realization of the Kitaev spin liquid at zero field by making van der Waals heterostructures of $\alpha$-RuCl${}_3$ and a ferromagnet Cr$X_3$ ($X$=Cl and I). Using {\it ab initio} calculations, we find that in the case of $X$=Cl the zigzag order is suppressed by the proximity effect of the ferromagnetic CrCl${}_3$ layer, while the Kitaev interaction is still relevant in the $\alpha$-RuCl${}_3$ layer. Notably, the induced Ru moment is close to the value observed in the spin liquid region of the bulk material, signifying the possibility of the Kitaev spin liquid at zero field. In contrast, in the case of $X$=I, the system is on the verge of an insulator-metal transition by carrier doping through interlayer hybridization. Our results indicate that van der Waals heterostructures provide a new platform for studying not only magnetic but also electronic properties of the Kitaev magnets.

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