Physical review. B, Condensed matter · 2000 · 78 citations · 69 references
Natural SciencesPhysicsCondensed Matter PhysicsQuantum MechanicsSolid State PhysicsAntiferromagnetismExchange InteractionsMagnetic Properties Of SolidsMagnetism In SolidsMagnetism Of Inorganic CompoundsStrongly Correlated Electron SystemsGround State PropertiesLong-range OrderMagnetic Exchange InteractionsOrbital OrderingSpin-orbital CouplingSuperexchangeSuperexchange MechanismTransition Metal Magnetism
The model captures superexchange interactions that depend on orbital occupation and couple spin and orbital degrees of freedom on neighboring sites. The study investigates how orbital degeneracy influences magnetic ordering in strongly correlated transition‑metal compounds. Using a spin‑orbital model for d9 ions in a perovskite lattice and linear spin‑wave theory, the authors analyze transverse spin‑wave, spin‑and‑orbital, and longitudinal orbital excitations. The ground‑state phase diagram contains six magnetically ordered phases with distinct orbital patterns, all becoming degenerate at a multicritical point; a soft orbital mode near this point enhances quantum fluctuations, suppresses long‑range order, and stabilizes a spin‑liquid state that may occur in LiNiO₂.
We address the role played by orbital degeneracy in strongly correlated transition-metal compounds. Specifically, we study the effective spin-orbital model derived for the ${d}^{9}$ ions in a three-dimensional perovskite lattice, as in ${\mathrm{KCuF}}_{3},$ where at each site the doubly degenerate ${e}_{g}$ orbitals contain a single hole. The model describes the superexchange interactions that depend on the pattern of orbitals occupied and shows a nontrivial coupling between spin and orbital variables at nearest-neighbor sites. We present the ground-state properties of this model, depending on the splitting between the ${e}_{g}$ orbitals ${E}_{z},$ and the Hund's rule coupling in the excited ${d}^{8}$ states, ${J}_{H}.$ The classical phase diagram consists of six magnetic phases which all have different orbital ordering: two antiferromagnetic (AF) phases with G-AF order and either ${x}^{2}\ensuremath{-}{y}^{2}$ or ${3z}^{2}\ensuremath{-}{r}^{2}$ orbitals occupied, two phases with mixed orbital (MO) patterns and A-AF order, and two other MO phases with either C-AF or G-AF order. All of them become degenerate at the multicritical point $M\ensuremath{\equiv}{(E}_{z}{,J}_{H})=(0,0).$ Using a generalization of linear spin-wave theory we study both the transverse excitations which are spin waves and spin-and-orbital waves, as well as the longitudinal (orbital) excitations. The transverse modes couple to each other, providing a possibility of measuring the new spin-and-orbital excitations in inelastic neutron spectroscopy. As the latter excitation turns into a soft mode near the M point, quantum corrections to the long-range-order parameter are drastically increased near the orbital degeneracy, and classical order is suppressed in a crossover regime between the G-AF and A-AF phases in the ${(E}_{z}{,J}_{H})$ plane. This behavior is reminiscent of that found in frustrated spin models, and we conclude that orbital degeneracy provides a different and physically realizable mechanism which stabilizes a spin liquid ground state due to inherent frustration of magnetic interactions. We also point out that such a disordered magnetic phase is likely to be realized at low ${J}_{H}$ and low electron-phonon coupling, as in ${\mathrm{LiNiO}}_{2}.$
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