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arXiv · 2207.05045

Emergence of bond-dependent highly anisotropic magnetic interactions in Sr$_4$RhO$_6$: a theoretical study

Shishir Kumar Pandey·Qiangqiang Gu·Yihao Lin·Rajarshi Tiwari·Ji Feng
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Abstract

The quantum spin liquid states as a natural ground state of the Kitaev model has led to a quest for new materials candidates hosting Kitaev physics. Yet, there are very few material candidates in this category. Using a combination of $ab$ $initio$ and model Hamiltonian methods, we propose that Ruddlesden-Popper compound Sr$_4$RhO$_6$ belongs to this category. With a tight-binding model and exact diagonalization approach, we show that despite substantial trigonal-like distortion, the electronic and magnetic properties of Sr$_4$RhO$_6$ can be well described in terms of pseudo-spin = 1/2 states. Magnetic interactions among pseudo-spins, estimated using the second-order perturbation method are highly bond-dependent anisotropic in nature with two particularly noticeable features, antiferromagnetic Kitaev and Dzyaloshinskii-Moriya interactions. The gaped spin-wave spectra of Sr$_4$RhO$_6$ obtained with linear spin-wave theory is consistent with the underlying magnetic frustration. Additional analysis of the role of individual or a particular combination of magnetic interactions reveals that the spin-wave spectra of Sr$_4$RhO$_6$ is a combined effect of the highly anisotropic interactions and a relatively simpler minimal model may not be plausible in the current case. The crucial insights about coupling between the local structural features and magnetic properties of Sr$_4$RhO$_6$ obtained in this study may be helpful for future studies belonging to this class.

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Shishir Kumar Pandey, Qiangqiang Gu, Yihao Lin, Rajarshi Tiwari, Ji Feng. 2022-07-11. Emergence of bond-dependent highly anisotropic magnetic interactions in Sr$_4$RhO$_6$: a theoretical study. https://doi.org/10.1103/physrevb.107.115119

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