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Possible realization of Kitaev spin liquids in van der Waals heterostructures of α−RuCl3 and CrX3 (X=Cl and I)

Lingzhi Zhang and Yukitoshi Motome

Phys. Rev. B 110, L241109 – Published 19 December, 2024

DOI: https://doi.org/10.1103/PhysRevB.110.L241109

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, α−RuCl3 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 α−RuCl3 and a ferromagnet CrX3 (X=Cl and I). Using ab initio calculations, we find that in the case of X=Cl the zigzag order is suppressed by the proximity effect of the ferromagnetic CrCl3 layer, while the Kitaev interaction is still relevant in the α−RuCl3 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 platform for studying not only the magnetic but also the electronic properties of Kitaev magnets.

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