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.

arXiv commentv2 includes supplementary information, a more detailed discussion of selected aspects and correction of small errors

References in corpus (54)

• Anyons in an exactly solved model and beyond
• Correlated Electrons in High Temperature Superconductors
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Novel Jeff = 1/2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr2IrO4
• Kitaev quantum spin liquid - concept and materialization
• Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
• Neutron tomography of magnetic Majorana fermions in a proximate quantum spin liquid
• Generic spin model for the honeycomb iridates beyond the Kitaev limit
• Models and Materials for Generalized Kitaev Magnetism
• Linear spin wave theory for single-Q incommensurate magnetic structures
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• Calculations of Hubbard U from first-principles
• The monoclinic crystal structure of $\alpha$-RuCl${}_3$ and the zigzag antiferromagnetic ground state
• Variational study of triangular lattice spin-1/2 model with ring exchanges and spin liquid state in κ-(ET)_2 Cu_2 (CN)_3
• Orbital order and fluctuations in Mott insulators
• Effect of magnetic frustration on nematicity and superconductivity in Fe chalcogenides
• Field-tunable quantum disordered ground state in the triangular lattice antiferromagnet NaYbO${}_2$
• Breakdown of Magnons in a Strongly Spin-Orbital Coupled Magnet
• Spontaneous skyrmionic lattice from anisotropic symmetric exchange in a Ni-halide monolayer
• Rare-earth chalcogenides: A large family of triangular lattice spin liquid candidate
• Spin-Liquid phase of the Multiple-Spin Exchange Hamiltonian on the Triangular Lattice
• Anisotropy and Magnetism in the LSDA+U Method
• NaYbS${}_2$ - a new planar spin-$\frac{1}{2}$ triangular-lattice magnet and putative spin liquid
• Kitaev-Heisenberg models for iridates on the triangular, hyperkagome, kagome, fcc, and pyrochlore lattices
• Microscopic mechanism for higher-spin Kitaev model
• Magnetic anisotropy in the Kitaev model systems Na2IrO3 and RuCl3
• Heisenberg-Kitaev physics in magnetic fields
• Quantum spin liquid ground state in the disorder free triangular lattice NaYbS${}_2$
• Spin-orbit physics of j=1/2 Mott insulators on the triangular lattice
• Z_2-vortex lattice in the ground state of the triangular Kitaev-Heisenberg model
• Spin liquid behaviour in Jeff=1/2 triangular lattice Ba3IrTi2O9
• Four-Spin Terms and the Origin of the Chiral Spin Liquid in Mott Insulators on the Triangular Lattice
• Order-by-Disorder from Bond-Dependent Exchange and Intensity Signature of Nodal Quasiparticles in a Honeycomb Cobaltate
• Pseudo-Goldstone gaps and order-by-quantum-disorder in frustrated magnets
• Critical Spin Liquid versus Valence Bond Glass in Triangular Lattice Organic $\kappa$-(ET)${}_2$Cu${}_2$(CN)${}_3$
• Low energy electronic states and triplet pairing in layered cobaltates
• Microscopic origin of magnetism in monolayer $3d$ transition metal dihalides
• Global phase diagram, possible chiral spin liquid and topological superconductivity in the triangular Kitaev-Heisenberg model
• Signatures of a gearwheel quantum spin liquid in a spin-$\frac{1}{2}$ pyrochlore molybdate Heisenberg antiferromagnet
• Magnetic Orders Proximal to the Kitaev Limit in Frustrated Triangular Systems: Application to Ba${}_3$IrTi${}_2$O${}_9$
• Quantum order by disorder in the Kitaev model on a triangular lattice
• Reduction of magnetic interlayer coupling in barlowite through isoelectronic substitution
• Electronic and magnetic properties of the RuX${}_3$ (X=Cl, Br, I) family: Two siblings -- and a cousin?
• Exotic Gapless Mott Insulators of Bosons on Multi-Leg Ladders
• Nonplanar ground states of frustrated antiferromagnets on an octahedral lattice
• $ab$-$initio$ Approaches for Low-Energy Spin Hamiltonians
• Spin liquid phase in the semiclassical theory of the Heisenberg model on an anisotropic triangular lattice with ring exchange
• Spin liquid phase due to competing classical orders in the semiclassical theory of the Heisenberg model with ring exchange on an anisotropic triangular lattice
• Comprehensive study of the global phase diagram in the triangular $J$-$K$-$\Gamma$ model
• Density-Matrix Renormalization Group Study of Kitaev--Heisenberg Model on a Triangular Lattice
• Ingredients for Generalized Models of $\kappa$-Phase Organic Charge-Transfer Salts: A Review
• Spin Vortex Crystal Order in Organic Triangular Lattice Compound
• On the origin of the possible chiral spin liquid state of the triangular lattice Hubbard model
• Defect control in the Heisenberg-Kitaev candidate material NaRuO${}_2$

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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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