Orbital order in vanadium spinels

Abstract

Motivated by recent theoretical and experimental controversy, we present a theoretical study to clarify the orbital symmetry of the ground state of vanadium spinel oxides AV${}_2$O${}_4$ (A=Zn, Mg, Cd). The study is based on an effective Hamiltonian with spin-orbital superexchange interaction and a local spin-orbit coupling term. We construct a classical phase-diagram and prove the complex orbital nature of the ground state. Remarkably, with our new analysis we predict correctly also the coherent tetragonal flattening of oxygen octahedra. Finally, through analytical considerations as well as numerical ab-initio simulations, we propose how to detect the predicted complex orbital ordering through vanadium K edge resonant x-ray scattering.

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Cited by in corpus (32)

• Fingerprints of spin-orbital physics in cubic Mott insulators: Magnetic exchange interactions and optical spectral weights
• Magnetic and orbital ordering in the spinel MnV2O4
• Orbital order in ZnV${}_2$O${}_4$
• Frustration and entanglement in the $t_{2g}$ spin--orbital model on a triangular lattice: valence--bond and generalized liquid states
• Homopolar bond formation in ZnV${}_2$O${}_4$ close to a metal-insulator transition
• Classical dimers and dimerized superstructure in orbitally degenerate honeycomb antiferromagnet
• Investigation of the Thermoelectric Properties of ZnV${}_2$O${}_4$ Compound in High Temperature Region
• Quantum 120-degree model on pyrochlore lattice: orbital ordering in MnV2O4
• Strong competition between orbital-ordering and itinerancy in a frustrated spinel vanadate
• Orbital ordering in the geometrically frustrated MgV${}_2$O${}_4$: \emph{Ab initio} electronic structure calculations
• Two inequivalent sublattices and orbital ordering in MnV2O4 studied by 51V NMR
• Effect of pressure on the electronic and magnetic properties of CdV${}_2$O${}_4$: Density functional theory studies
• Universality in one dimensional orbital wave ordering in spinel and related compounds: an experimental perspective
• Magnetic Field Induced Transition in Vanadium Spinels
• Large-J approach to strongly coupled spin-orbital systems
• Model for frustrated spin-orbital chains: application to CaV2O4
• Magnetic excitations in vanadium spinels
• Comparative study of FeCr2S4 and FeSc2S4: Spinels with orbitally active A site
• Magnetic excitations and anomalous spin wave broadening in multiferroic FeV2O4
• Multiple lattice instabilities resolved by magnetic-field and disorder sensitivities in cubic paramagnetic phase of the orbital-degenerate frustrated spinel MgV${}_2$O${}_4$
• Orbital disorder induced by charge fluctuations in vanadium spinels
• A variety of elastic anomalies in orbital-active nearly-itinerant cobalt vanadate spinel
• Phonon dispersion, Raman spectra and evidence for spin-phonon coupling in MnV${}_2$O${}_4$ from first-principles
• Spin-orbital correlations from complex orbital order in MgV${}_2$O${}_4$
• Quantum criticality of vanadium chains with strong relativistic spin-orbit interaction
• Limitations of unconstrained LSDA+$U$ calculations in predicting the electronic and magnetic ground state of a geometrically frustrated ZnV${}_2$O${}_4$ compound
• Density matrix approach to the orbital ordering in the spinel vanadates: A case study
• The ground state phases of orbitally degenerate spinel oxides
• Magnetic and orbital correlations in a two-site molecule
• Role of orbital degrees of freedom in investigating the magnetic properties of geometrically frustrated vanadium spinels
• Electronic structure study of vanadium spinels by using density functional theory and dynamical mean field theory
• The role of ionic sizes in inducing the cubic to tetragonal distortion in AV${}_2$O${}_4$ and ACr${}_2$O${}_4$ (A=Zn, Mg and Cd) compounds