Unveiling Magnetic Interactions of Ruthenium Trichloride via Constraining Direction of Orbital moments: Potential Routes to Realize Quantum Spin Liquid

Abstract

Recent experiments reveal that the honeycomb ruthenium trichloride α-RuCl3 is a prime candidate of the Kitaev quantum spin liquid (QSL). However, there is no theoretical model which can properly describe its experimental dynamical response, due to the lack of a full understanding of its magnetic interactions. Here, we propose a general scheme to calculate the magnetic interactions in systems (e.g., α-RuCl3) with non-negligible orbital moments by constraining the directions of orbital moments. With this scheme, we put forward a minimal J1-K1-Γ1-J3-K3 model for α-RuCl3 and find that: (I) The third nearest neighbor (NN) antiferromagnetic Heisenberg interaction J3 stabilizes the zigzag antiferromagnetic order; (II) The NN symmetric off-diagonal exchange Γ1 plays a pivotal role in determining the preferred direction of magnetic moments and generating the spin wave gap. Exact diagonalization study on this model shows that the Kitaev QSL can be realized by suppressing the NN symmetric off-diagonal exchange Γ1 and the third NN Heisenberg interaction J3. Thus, we not only propose a powerful general scheme for investigating the intriguing magnetism of Jeff=1/2 magnets, but also point out future directions for realizing the Kitaev QSL in the honeycomb ruthenium trichloride α-RuCl3.

arXiv comment16 Pages, 4 Figures, 1 Table

References in corpus (40)

• Anyons in an exactly solved model and beyond
• Exchange Monte Carlo Method and Application to Spin Glass Simulations
• 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-Heisenberg Model on Honeycomb Lattice: Possible Exotic Phases in Iridium Oxides $A_2$IrO${}_3$
• Proximate Kitaev Quantum Spin Liquid Behaviour in α-RuCl${}_3$
• $\alpha$-RuCl3: a Spin-Orbit Assisted Mott Insulator on a Honeycomb Lattice
• Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A_2IrO_3
• Generic spin model for the honeycomb iridates beyond the Kitaev limit
• Spin waves and revised crystal structure of honeycomb iridate Na2IrO3
• Linear spin wave theory for single-Q incommensurate magnetic structures
• Implementation of the Projector Augmented Wave LDA+U Method: Application to the Electronic Structure of NiO
• On the Origin of Zigzag Magnetic Order in Iridium Oxide Na2IrO3
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• Scattering Continuum and Possible Fractionalized Excitations in $\alpha$-RuCl${}_3$
• Magnetic order in $\alpha$-RuCl${}_3$: a honeycomb lattice quantum magnet with strong spin-orbit coupling
• Predicting the Spin-Lattice Order of Frustrated Systems from First-Principles
• Low-temperature crystal and magnetic structure of $\alpha$-RuCl3
• Direct evidence of a zigzag spin chain structure in the honeycomb lattice: A neutron and x-ray diffraction investigation on single crystal $\mathrm{N}{\mathrm{a}}_2\mathrm{Ir}{\mathrm{O}}_3$
• Dynamics of a two-dimensional quantum spin liquid: signatures of emergent Majorana fermions and fluxes
• Long range magnetic ordering in Na${}_2$IrO${}_3$
• Kitaev magnetism in honeycomb RuCl3 with intermediate spin-orbit coupling
• Spin-orbit excitation energies, anisotropic exchange, and magnetic phases of honeycomb RuCl3
• Na2IrO3 as a spin-orbit-assisted antiferromagnetic insulator with a 340 meV gap
• First-Principles Study of the Honeycomb-Lattice Iridates Na2IrO3 in the Presence of Strong Spin-Orbit Interaction and Electron Correlations
• Spin-Orbit Coupling and Ion Displacements in Multiferroic TbMnO3
• Ab initio analysis of the tight-binding parameters and magnetic interactions in Na2IrO3
• Incommensurate Counterrotating Magnetic Order Stabilized by Kitaev Interactions in the Layered Honeycomb $\alpha$-Li${}_2$IrO${}_3$
• Spin-orbit excitations and electronic structure of the putative Kitaev magnet $\alpha$-RuCl${}_3$
• Importance of anisotropic exchange interactions in honeycomb iridates. Minimal model for zigzag antiferromagnetic order in Na${}_2$IrO${}_3$
• J${}_{eff}$ description of the honeycomb Mott insulator $\alpha$-RuCl${}_3$
• Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling
• Anisotropic Magnetic Couplings and Structure-Driven Canted to Collinear Transitions in Spin-orbit Coupled Sr2IrO4
• Electronic Structure of the Kitaev Material $\alpha$-${\text{RuCl}}_3$ Probed by Photoemission and Inverse Photoemission Spectroscopies
• Evolution of Magnetism in Single-Crystal Honeycomb Iridates
• From a quasimolecular band insulator to a relativistic Mott insulator in $t_{2g}^5$ systems with a honeycomb lattice structure
• Novel magnetism on a honeycomb lattice in a-RuCl3 studied by muon spin rotation
• Computational Study of the Magnetic Structure of Na${}_2$IrO${}_3$
• Unveiling the Origin of the Basal-plane Antiferromagnetism in the Jeff=1/2 Mott Insulator Ba2IrO4: A Density Functional and Model Hamiltonian Study
• Kitaev's exact solution approximated

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• Unusual spin dynamics in the low-temperature magnetically ordered state of Ag${}_3$LiIr${}_2$O${}_6$
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