A $j_{\mathrm{eff}}=1/2$ Kitaev material on the triangular lattice: The case of NaRuO${}_2$

Abstract

Motivated by recent reports of a quantum disordered ground state in the triangular lattice compound NaRuO${}_2$, we derive a $j_{\mathrm{eff}}=1/2$ magnetic model for this system by means of first-principles calculations. The pseudospin Hamiltonian is dominated by bond-dependent off-diagonal $\Gamma$ interactions, complemented by a ferromagnetic Heisenberg exchange and a notably antiferromagnetic Kitaev term. In addition to bilinear interactions, we find a sizable four-spin ring exchange contribution with a strongly anisotropic character, which has been so far overlooked when modeling Kitaev materials. The analysis of the magnetic model, based on the minimization of the classical energy and exact diagonalization of the quantum Hamiltonian, points toward the existence of a rather robust easy-plane ferromagnetic order, which cannot be easily destabilized by physically relevant perturbations.

v2 includes supplementary information, a more detailed discussion of selected aspects and correction of small errors

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• Quantum selection of order and dynamic properties of Kitaev-Heisenberg ferromagnet on a triangular lattice
• Searching for superconductivity in doped triangular lattice Kitaev magnets
• (H,Li)${}_6$Ru${}_2$O${}_6$ : a possible zero-field Ru${}^{3+}$-based Kitaev Quantum Spin Liquid
• Phonon spectrum in the spin-Peierls phase of CuGeO${}_3$
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