Magnetic Couplings in Edge-Sharing High-Spin $d^7$ Compounds

Abstract

High-spin $d^7$ Co(II) compounds have recently been identified as possible platforms for realising highly anisotropic and bond-dependent couplings featured in quantum-compass models such as the celebrated Kitaev model. In order to evaluate this potential, we consider all symmetry-allowed contributions to the magnetic exchange for ideal edge-sharing bonds. Though a combination of ab-initio and cluster many-body calculations we conclude that bond-dependent couplings are generally suppressed in favor of Heisenberg exchange for real materials. Consequences for several prominent materials including Na${}_2$Co${}_2$TeO${}_6$ and BaCo${}_2$(AsO${}_4$)${}_2$ are discussed.

15 pages, 10 figures; v3 corrects an error in v2 where "trigonal elongation" and "trigonal compression" were accidentally reversed. The published version has always been correct

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• Polarized-neutron investigation of magnetic ordering and spin dynamics in BaCo${}_2$(AsO${}_4$)${}_2$ frustrated honeycomb-lattice magnet
• Frustration enhanced by Kitaev exchange in a ${\tilde{\mathbf{j}}}_{\text{eff}}=\frac{1}{2}$ triangular antiferromagnet
• Magnetic excitations of the field induced states in BaCo2(AsO4)2 probed by time-domain terahertz spectroscopy

Cited by in corpus (42)

• Beyond Kitaev physics in strong spin-orbit coupled magnets
• Magnetic ground state of the Kitaev Na${}_2$Co${}_2$TeO${}_6$ spin liquid candidate
• Ab initio guided minimal model for the "Kitaev" material BaCo${}_2$(AsO${}_4$)${}_2$: Importance of direct hopping, third-neighbor exchange and quantum fluctuations
• Non-Kitaev vs. Kitaev Honeycomb Cobaltates
• Triple-q order in Na${}_2$Co${}_2$TeO${}_6$ from proximity to hidden-SU(2)-symmetric point
• Magnetic phase diagram and possible Kitaev-like behavior of honeycomb-lattice antimonate Na3Co2SbO6
• Easy-plane multi-$\mathbf{q}$ magnetic ground state of Na${}_3$Co${}_2$SbO${}_6$
• Easy-plane anisotropic-exchange magnets on a honeycomb lattice: quantum effects and dealing with them
• Spin wave spectra of single crystal CoPS${}_3$
• The Saga of $\alpha$-RuCl${}_3$: Parameters, Models, and Phase Diagrams
• Spin vestigial orders in extended Heisenberg-Kitaev models near hidden SU(2) points: Application to Na${}_2$Co${}_2$TeO${}_6$
• Comparative Raman Scattering Study of Crystal Field Excitations in Co-based Quantum Magnets
• Suppression of Antiferromagnetic Order by Strain in Honeycomb Cobaltate: Implication for Quantum Spin Liquid
• Persistent spin dynamics in magnetically ordered honeycomb cobalt oxides
• Ferrimagnetism from triple-q order in Na${}_2$Co${}_2$TeO${}_6$
• Spin excitation continuum to topological magnon crossover and thermal Hall conductivity in Kitaev magnets
• CaCo${}_2$TeO${}_6$: A topochemically prepared 3$d^7$ honeycomb Kitaev magnet
• BaCo${}_2$(AsO${}_4$)${}_2$: Strong Kitaev, After All
• Suppression of the antiferromagnetic order by Zn doping in a possible Kitaev material Na${}_2$Co${}_2$TeO${}_6$
• On the multi-$\mathbf{q}$ characteristics of magnetic ground states of honeycomb cobalt oxides
• Disorder-induced excitation continuum in a spin-1/2 cobaltate on a triangular lattice
• $J_{\mathrm{eff}}$ = 1/2 Hyperoctagon Lattice in Cobalt Oxalate Metal-Organic-Framework
• Cobalt-Based Pyroxenes: A New Playground for Kitaev Physics and Ising Model Realization
• Proximity-induced sequence of field transitions in Kitaev candidate BaCo${}_2$(AsO${}_4$)${}_2$
• Polymorphism and Magnetism in a Kitaev Honeycomb Cobaltate KCoAsO${}_4$
• Spin-orbit entangled moments and magnetic exchange interactions in cobalt-based honeycomb magnets BaCo${}_2$($X$O${}_4$)${}_2$ ($X$ = P, As, Sb)
• Bond-dependent interactions and ill-ordered state in the honeycomb cobaltate BaCo${}_2$(AsO${}_4$)${}_2$
• Zero-field magnetic structure and metamagnetic phase transitions of the cobalt chain compound Li${}_2$CoCl${}_4$
• Ferrimagnetism from quantum fluctuations in Kitaev materials
• Field-induced magnetic phases in the Kitaev candidate Na${}_3$Co${}_2$SbO${}_6$
• Phenomenological Ginzburg-Landau theory for triple-Q magnetic orders on a hexagonal lattice
• Scaling behavior and giant field-enhancement of the thermal conductivity in the honeycomb antiferromagnet BaCo2(AsO4)2
• Using magnetic dynamics to measure the spin gap in a candidate Kitaev material
• Direct probe of magnetic field effects on phonons by ultrasound propagation in a quasi-two-dimensional honeycomb magnet Na${}_2$Co${}_2$TeO${}_6$
• Relevance of on-site and intersite Coulomb interactions in the Kitaev-Heisenberg magnet Na${}_3$Co${}_2$SbO${}_6$
• Ising spin ladders of orthopyroxene CoGeO${}_3$
• Crystalline water intercalation into the Kitaev honeycomb cobaltate Na${}_2$Co${}_2$TeO${}_6$
• More bridging ligands activate direct exchange: the case of anisotropic Kitaev effective magnetic interactions
• Spin-orbit driven $J_{eff}=1/2$ magnetism in a d${}^7$ triangular-lattice monolayer cobaltate
• Anisotropic magnetoelastic coupling in the honeycomb magnet Na${}_3$Co${}_2$SbO${}_6$
• Kitaev interaction and possible spin liquid state in CoI2 and Co2/3Mg1/3I2
• Trigonal distortion in the Kitaev candidate honeycomb magnet BaCo2(AsO4)2