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.

arXiv comment15 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

References in corpus (48)

• Anyons in an exactly solved model and beyond
• Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
• Quantum Spin Liquid States
• Quantum Spin Liquids
• Majorana quantization and half-integer thermal quantum Hall effect in a Kitaev spin liquid
• Strong electronic correlations from Hund's coupling
• Proximate Kitaev Quantum Spin Liquid Behaviour in α-RuCl${}_3$
• $\alpha$-RuCl3: a Spin-Orbit Assisted Mott Insulator on a Honeycomb Lattice
• Quantum criticality in an Ising chain: experimental evidence for emergent E8 symmetry
• 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
• On the Origin of Zigzag Magnetic Order in Iridium Oxide Na2IrO3
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• Physics of the Kitaev model: fractionalization, dynamical correlations, and material connections
• Quantum Excitations in Quantum Spin Ice
• Excitations in the field-induced quantum spin liquid state of alpha-RuCl3
• Pseudospin exchange interactions in d^7 cobalt compounds: Possible realization of the Kitaev model
• Half-integer quantized anomalous thermal Hall effect in the Kitaev material $\alpha$-RuCl${}_3$
• An investigation of the quantum $J_1-J_2-J_3$ model on the honeycomb lattice
• Breakdown of Magnons in a Strongly Spin-Orbital Coupled Magnet
• Kitaev-Heisenberg Hamiltonian for High-Spin $d^7$ Mott Insulators
• Kitaev Spin Liquid in 3d Transition Metal Compounds
• Kitaev-Heisenberg-J2-J3 model for the iridates A2IrO3
• 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${}_6$
• Static and Dynamical Properties of the Spin-1/2 Equilateral Triangular-Lattice Antiferromagnet Ba${}_3$CoSb${}_2$O${}_9$
• Magnetic anisotropy in the Kitaev model systems Na2IrO3 and RuCl3
• Zigzag antiferromagnetic ground state with anisotropic correlation lengths in the quasi-2D honeycomb lattice compound Na2Co2TeO6
• Weak-field induced nonmagnetic state in a Co-based honeycomb
• Anisotropic-Exchange Magnets on a Triangular Lattice: Spin Waves, Accidental Degeneracies, and Dual Spin Liquids
• Antiferromagnetic Kitaev interaction in $J_\rm{eff}=1/2$ cobalt honeycomb materials Na${}_3$Co${}_2$SbO${}_6$ and Na${}_2$Co${}_2$TeO${}_6$
• Spin-orbit phase behaviors of Na2Co2TeO6 at low temperatures
• A hierarchy of bound states in the 1D ferromagnetic Ising chain CoNb${}_2$O${}_6$ investigated by high resolution time-domain terahertz spectroscopy
• Static and dynamic magnetic properties of honeycomb lattice antiferromagnets Na${}_2{M}_2$TeO${}_6$, $M$ = Co and Ni
• Interplay of Quantum Criticality and Geometric Frustration in Columbite
• Dynamical structure factor of the triangular antiferromagnet: the Schwinger boson theory beyond the mean field approach
• XY magnetism, Kitaev exchange, and long-range frustration in the $J_{\mathrm{eff}}=1/2$ honeycomb cobaltates
• Duality and domain wall dynamics in a twisted Kitaev chain
• Short range order in the quantum XXZ honeycomb lattice material BaCo${}_2$(PO${}_4$)${}_2$
• Single-ion properties of the $S_{eff}$ = 1/2 XY antiferromagnetic pyrochlores, Na$A^{\prime }$Co${}_2$F${}_7$ ($A^{\prime }=$ Ca${}^{2+}$, Sr${}^{2+}$)
• Glide symmetry breaking and Ising criticality in the quasi-1D magnet CoNb${}_2$O${}_6$
• Polarized-neutron investigation of magnetic ordering and spin dynamics in BaCo${}_2$(AsO${}_4$)${}_2$ frustrated honeycomb-lattice magnet
• Towards Kitaev Spin Liquid in 3d Transition Metal Compounds
• Magnetic excitations of the field induced states in BaCo2(AsO4)2 probed by time-domain terahertz spectroscopy
• Frustration enhanced by Kitaev exchange in a ${\tilde{\mathbf{j}}}_{\text{eff}}=\frac{1}{2}$ triangular antiferromagnet
• Disentangling orbital and spin exchange interactions for Co${}^{2+}$ on a rocksalt lattice
• Hydrostatic pressure effect on Co-based honeycomb magnet BaCo2(AsO4)2

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