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

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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Cited by in corpus (1)

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