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.

References in corpus (44)

• Topological Insulators
• Topological insulators and superconductors
• Anyons in an exactly solved model and beyond
• Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Correlated quantum phenomena in the strong spin-orbit regime
• 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${}_3$
• Kitaev quantum spin liquid - concept and materialization
• $\alpha$-RuCl3: a Spin-Orbit Assisted Mott Insulator on a Honeycomb Lattice
• Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
• Relevance of the Heisenberg-Kitaev model for the honeycomb lattice iridates A_2IrO_3
• Spin-Orbit Physics Giving Rise to Novel Phases in Correlated Systems: Iridates and Related Materials
• Three-Dimensional Topological Insulators
• Spin waves and revised crystal structure of honeycomb iridate Na2IrO3
• Linear spin wave theory for single-Q incommensurate magnetic structures
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• The monoclinic crystal structure of $\alpha$-RuCl${}_3$ and the zigzag antiferromagnetic ground state
• Isospin Dynamics in Sr2IrO4 : Forging Links to Cuprate Superconductivity
• Dynamics of a two-dimensional quantum spin liquid: signatures of emergent Majorana fermions and fluxes
• Kitaev magnetism in honeycomb RuCl3 with intermediate spin-orbit coupling
• On the Field-Induced Gap in Cu Benzoate and Other S=1/2 Antiferromagnets
• Pseudospin exchange interactions in d^7 cobalt compounds: Possible realization of the Kitaev model
• Crystal field splitting and correlation effect on the electronic structure of A2IrO3
• Kitaev-Heisenberg Hamiltonian for High-Spin $d^7$ Mott Insulators
• Kitaev Spin Liquid in 3d Transition Metal Compounds
• Non-coplanar and counter-rotating incommensurate magnetic order stabilized by Kitaev interactions in $\gamma$-Li2IrO3
• Unconventional magnetic order on the hyperhoneycomb Kitaev lattice in $\beta$-Li2IrO3: full solution via magnetic resonant x-ray diffraction
• Kitaev interactions in the Co honeycomb antiferromagnets Na${}_3$Co${}_2$SbO${}_6$ and Na${}_2$Co${}_2$TeO${}_6$
• Magnetic properties of the honeycomb oxide Na${}_2$Co${}_2$TeO${}_6$
• Theoretical investigation of the magnetic dynamics in $\alpha$-RuCl${}_3$
• Zigzag antiferromagnetic ground state with anisotropic correlation lengths in the quasi-2D honeycomb lattice compound Na2Co2TeO6
• Spin-orbit phase behaviors of Na2Co2TeO6 at low temperatures
• Magnetism and electronic structure of La2ZnIrO6 and La2MgIrO6: candidate Jeff =1/2 Mott insulators
• Low energy electronic states and triplet pairing in layered cobaltates
• Li${}_2$RhO${}_3$: A spin-glassy relativistic Mott insulator
• Electronic excitations in the edge-shared relativistic Mott insulator: Na${}_2$IrO${}_3$
• Highly-anisotropic exchange interactions of $j_{\mathrm{eff}}=1/2$ iridium moments on the fcc lattice in La${}_{2}B$IrO${}_6$ ($B$ $=$ Mg, Zn)
• $J_{eff}=1/2$ Mott Insulating State in Rh and Ir Fluorides
• Orbital ordering of Ir-t2g states in the double perovskite Sr2CeIrO6
• A computational method to estimate spin-orbital interaction strength in solid state systems
• Spin interaction and magnetism in cobaltate Kitaev candidate materials: an $ab$ $initio$ and model Hamiltonian approach
• Spin-orbit driven magnetic insulating state with $J_{\mathrm{eff}}=1/2$ character in a 4d oxide
• On the connection between magnetic interactions and the spin-wave gap of the insulating phase of NaOsO${}_3$

Cited by in corpus (1)

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