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arXiv · 2304.04257

Computational exploration of a viable route to Kitaev-quantum spin liquid phase in OsCl$_3$

Qiangqiang Gu·Shishir Kumar Pandey·Yihao Lin
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Abstract

In this computational study, we explore a viable route to access the Kitaev-Quantum Spin Liquid (QSL) state in recently synthesized monolayer of a so-called spin-orbit assisted Mott insulator OsCl$_3$. In addition to other magnetic ground states in different regions, the small $J_\text{H}$/$U$ region of our Hubbard $U$--Hund's $J_\text{H}$ quantum phase diagram, obtained by combining second-order perturbation and pseudo-Fermion renormalization group calculations, hosts Kitaev-QSL phase. Only Kitaev interaction of a smaller magnitude is obtained in this region. Negligibly small farther neighbor interactions appear as a distinct feature of monolayer \os, suggesting this material to be a better candidate for the exploration of possible Kitaev-QSL state than earlier proposed materials. Insights from our study might be useful to probe magnetic phase transitions by purportedly manipulating $U$ and $J_\text{H}$ with epitaxial strain in advanced crystal growth techniques.

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Qiangqiang Gu, Shishir Kumar Pandey, Yihao Lin. 2023-04-09. Computational exploration of a viable route to Kitaev-quantum spin liquid phase in OsCl$_3$. https://doi.org/10.1103/physrevresearch.6.043309

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