Interplay between orbital ordering and lattice distortions in LaMnO3, YVO3, and YTiO3

Abstract

We have studied the interplay between orbital ordering, Jahn-Teller and GdFeO3-type lattice distortions in perovskite-type transition-metal oxides using model Hartree-Fock calculations. It has been found that the covalency between A-site cations and oxygens causes interaction between the Jahn-Teller and GdFeO3-type distortions. The present calculations explain why the d-type Jahn-Teller distortion and orbital ordering compatible with it are realized in LaMnO3, YVO3 and YTiO3

5 pages, 8 figures

Cited by in corpus (77)

• Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^1$ perovskites
• Quantifying octahedral rotations in strained perovskite oxide films
• Orbital liquid in three dimensional Mott insulator: $LaTi{O}_3$
• Crystal and magnetic structure of LaTiO3 : evidence for non-degenerate $t_{2g}$-orbitals
• How chemistry controls electron localization in 3d1 perovskites: A Wannier-function study
• Spin Dynamics and Orbital State in LaTiO_3
• Spin Order due to Orbital Fluctuations: Cubic Vanadates
• Magnetic neutron scattering study of YVO3: Evidence for an orbital Peierls state
• Orbital Physics in the Perovskite Ti Oxides
• Transition between orbital orderings in YVO3
• Ground state and excited state properties of LaMnO${}_3$ from full-potential calculation
• Orbital fluctuations in the different phases of LaVO3 and YVO3
• Structural effects on the spin-state transition in epitaxially strained LaCoO${}_3$ films
• Substrate coherency-driven octahedral rotations in perovskite oxide films
• Spin-Orbital Entanglement and Violation of the Goodenough-Kanamori Rules
• Spontaneous Formation of Altermagnetism from Orbital Ordering
• Combining DFT and Many-Body Methods to Understand Correlated Materials
• Interplay of octahedral rotations and breathing distortions in charge ordering perovskite oxides
• Elastic interaction and superstructures in manganites and other Jahn-Teller systems
• Theory of optical spectral weights in Mott insulators with orbital degrees of freedom
• Quantum Versus Jahn-Teller Orbital Physics in YVO${}_3$ and LaVO${}_3$
• Novel Orbital Ordering induced by Anisotropic Stress in a Manganite Thin Film
• First-principles stabilization of an unconventional collinear magnetic ordering in distorted manganites
• Spin-orbital entangled state and realization of Kitaev physics in 3d cobalt compounds: a progress report
• Dominance of magnetoelastic coupling in multiferroic hexagonal YMnO_3
• Exchange coupling in CaMnO${}_3$ and LaMnO${}_3$: configuration interaction and the coupling mechanism
• Large isosymmetric reorientation of oxygen octahedra rotation axes in epitaxially strained perovskites
• Evidence for electronic phase separation between orbital orderings in SmVO3
• Stability of Jahn Teller distortion in LaMnO3 under pressure: An x-ray absorption study
• Anomalous Hall effect in antiferromagnetic perovskites
• Magnetic Ordering, Orbital Ordering and Resonant X-ray Scattering in Perovskite Titanates
• Anisotropic Optic Conductivities due to Spin and Orbital Orderings in LaVO3 and YVO3: First-Principles Studies
• Orbital Wave and its Observation in Orbital Ordered Titanates and Vanadates
• Optical response of ferromagnetic YTiO_3 studied by spectral ellipsometry
• One-dimensional orbital fluctuations and the exotic magnetic properties of YVO${}_3$
• Origin of the orbital and spin orderings in rare-earth titanates
• G-type antiferromagnetism and orbital ordering due to the crystal field from the rare-earth ions induced by the GdFeO_3-type distortion in RTiO_3 with R=La, Pr, Nd and Sm
• Origin of G-type Antiferromagnetism and Orbital-Spin Structures in ${\mathrm{LaTiO}}_3$
• Spin, orbital ordering and magnetic dynamics of LaVO3: magnetization, heat capacity and neutron scattering studies
• Orbital Ordering Structures in (Nd,Pr)0.5Sr0.5MnO3 Manganite Thin Films on Perovskite (011) Substrates
• Bandwidth-driven nature of the pressure-induced metal state of LaMnO3
• Collective orbital excitations in orbitally ordered YVO3 and HoVO3
• Spin Waves in Canted Phases: An Application to Doped Manganites
• A Resonant X-ray Scattering Study of Octahedral Tilt Ordering in LaMnO${}_3$ and Pr${}_{1-x}$Ca${}_x$MnO${}_3$
• Orbital Ordering and Spin-Ladder Formation in La2RuO5
• Defect states and excitations in a Mott insulator with orbital degrees of freedom: Mott-Hubbard gap versus optical and transport gaps in doped systems
• Structural response to O*-O' and magnetic transitions in orthorhombic perovskites
• First-Principles Computation of YVO3; Combining Path-Integral Renormalization Group with Density-Functional Approach
• Dipole-active optical phonons in YTiO_3: ellipsometry study and lattice-dynamics calculations
• Pressure-driven orbital reorientation and change in Mott-Hubbard gap in YTiO3
• Defect states and spin-orbital physics in doped vanadates Y1-xCaxVO3
• Room-temperature ferrimagnetism of anti-site-disordered Ca2MnOsO6
• Is there any hidden symmetry in the stripe structure of perovskite high temperature superconductors?
• Defect-induced orbital polarization and collapse of orbital order in doped vanadium perovskites
• Magnetic excitations in one-dimensional spin-orbital models
• Effect of cation size variance on spin and orbital order in Eu${}_{1-x}$(La${}_{0.254}$Y${}_{0.746}$)${}_x$VO${}_3$
• Electronic structure of Pr2MnNiO6 from x-ray photoemission, absorption and density functional theory
• Orbital order-disorder transition in La(1-x)Nd(x)MnO(3) (x = 0.0-1.0) and La(1-x-y)Nd(yx)Sr(y)MnO(3) (x = 0.1; y = 0.05,0.1)
• The Phase Diagram of an Anisotropic Potts Model
• Lattice distortion in the spin-orbital entangled state in RVO3 perovskites
• Quantum Phase Transitions in the One-Dimensional S=1 Spin-Orbital Model: Implications for Cubic Vanadates
• Spin-orbital model of stoichiometric LaMnO${}_3$ with tetragonal distortions
• Theory for spin and orbital orderings in high temperature phase in $YV{O}_3$
• LaSrVMoO${}_6$: A case study for $A$-site covalency-driven local cationic order in double perovskites
• Current-driven orbital order-disorder transition in LaMnO3
• Resonant inelastic x-ray scattering study of doping and temperature dependence of low-energy excitations in La${}_{1-x}$Sr${}_x$VO${}_3$
• Dy-V magnetic interaction and local structure bias on the complex spin and orbital ordering in Dy${}_{1-x}$Tb${}_x$VO${}_3$ (x\,=\,0 and 0.2)
• Doping effects on trimerization and magnetoelectric coupling of single crystal multiferroic (Y,Lu)MnO3
• Imprinted atomic displacements drive spin-orbital order in a vanadate perovskite
• Magnon dressing by orbital excitations in ferromagnetic planes of K${}_2$CuF${}_4$ and LaMnO${}_3$
• Low-energy V t2g orbital excitations in NdVO3
• Dynamics of photo-induced ferromagnetism in oxides with orbital degeneracy
• Orbital Rotations induced by Charges of Polarons and Defects in Doped Vanadates
• Molecular orbital polarization in Na2Ti2Sb2O: microscopic route to metal-metal transition without spontaneous symmetry breaking
• $d-p$ model and spin-orbital order in the vanadium perovskites
• Octahedral tilts and electronic correlations in La_7/8Sr_1/8MnO_3
• Tailoring non-collinear magnetism and 3d $-$ 4f exchange interactions in RVO${}_3$ epitaxial thin films