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DOE OSTI · 1801561

Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2

Xu, Changsong·Feng, Junsheng·Kawamura, Mitsuaki·Yamaji, Youhei·Nahas, Yousra·Prokhorenko, Sergei·Qi, Yang·Xiang, Hongjun·Bellaiche, L.
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Abstract

Quantum spin liquids (QSLs) form an extremely unusual magnetic state in which the spins are highly correlated and fluctuate coherently down to the lowest temperatures, but without symmetry breaking and without the formation of any static long-range-ordered magnetism. Such intriguing phenomena are not only of great fundamental relevance in themselves, but also hold promise for quantum computing and quantum information. Further, among different types of QSLs, the exactly solvable Kitaev model is attracting much attention, with most proposed candidate materials, e.g., RuCl 3 and Na 2 IrO 3 , having an effective $\textit{S}$ = 1/2 spin value. Here, via extensive first-principles-based simulations, we report the investigation of the Kitaev physics and possible Kitaev QSL state in epitaxially strained Cr-based monolayers, such as CrSiTe 3 , that rather possess a $\textit{S}$ = 3/2 spin value. Our study thus extends the playground of Kitaev physics and QSLs to 3$\textit{d}$ transition metal compounds.

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75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITYMonte Carlo methodsdensity functional calculationsexact diagonalizationhoneycomb latticemonolayer filmsphysicsquantum spin liquidspin state transition

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Xu, Changsong, Feng, Junsheng, Kawamura, Mitsuaki, Yamaji, Youhei, Nahas, Yousra, Prokhorenko, Sergei, Qi, Yang, Xiang, Hongjun, Bellaiche, L.. 2020-02-27. Possible Kitaev Quantum Spin Liquid State in 2D Materials with S=3/2. https://doi.org/10.1103/physrevlett.124.087205

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