J-freezing and Hund's rules in spin-orbit-coupled multiorbital Hubbard models

Abstract

We investigate the phase diagram of the spin-orbit-coupled three orbital Hubbard model at arbitrary filling by means of dynamical mean-field theory combined with continuous-time quantum Monte Carlo. We find that the spin-freezing crossover occurring in the metallic phase of the non-relativistic multiorbital Hubbard model can be generalized to a $\mathbf{J}$-freezing crossover, with $\mathbf{J}=\mathbf{L}+\mathbf{S}$, in the spin-orbit-coupled case. In the $\mathbf{J}$-frozen regime the correlated electrons exhibit a non-trivial flavor selectivity and energy dependence. Furthermore, in the regions near $n=2$ and $n=4$ the metallic states are qualitatively different from each other, which reflects the atomic Hund's third rule. Finally, we explore the appearance of magnetic order from exciton condensation at $n=4$ and discuss the relevance of our results for real materials.

arXiv comment13 pages, 10 figures

References in corpus (35)

• Continuous-time Monte Carlo methods for quantum impurity models
• Correlated quantum phenomena in the strong spin-orbit regime
• Kitaev-Heisenberg Model on Honeycomb Lattice: Possible Exotic Phases in Iridium Oxides $A_2$IrO${}_3$
• $\alpha$-RuCl3: a Spin-Orbit Assisted Mott Insulator on a Honeycomb Lattice
• Challenges in Design of Kitaev Materials: Magnetic Interactions from Competing Energy Scales
• The monoclinic crystal structure of $\alpha$-RuCl${}_3$ and the zigzag antiferromagnetic ground state
• Hybridization expansion impurity solver: General formulation and application to Kondo lattice and two-orbital models
• Electronic structure and magnetism in Ru based perovskites
• Janus-faced influence of the Hund's rule coupling in strongly correlated materials
• Hubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation
• Spin freezing transition and non-Fermi-liquid self-energy in a 3-orbital model
• Orbital-Selective Mott transition out of band degeneracy lifting
• Exotic phases induced by strong spin-orbit coupling in ordered double perovskites
• Excitonic Magnetism in Van Vleck-type d^4 Mott Insulators
• Strong spin-orbit coupling effects on the Fermi surface of Sr2RuO4 and Sr2RhO4
• Na2IrO3 as a spin-orbit-assisted antiferromagnetic insulator with a 340 meV gap
• Microscopic study of spin-orbit-induced Mott insulator in Ir oxides
• Ab initio analysis of the tight-binding parameters and magnetic interactions in Na2IrO3
• Spin-orbit coupling in $d^2$ ordered double perovskites
• Odd-parity triplet superconductivity in multi-orbital materials with strong spin-orbit coupling: applications to doped Sr2IrO4
• Superconductivity from emerging magnetic moments
• Ba2YIrO6: A cubic double perovskite material with Ir5+ ions
• Novel magnetic state in $d^4$ Mott insulators
• Phase diagram of pyrochlore iridates: all-in-all-out magnetic ordering and non-Fermi liquid properties
• Theory of High T${}_c$ Ferrimagnetism in a Multi-orbital Mott Insulator
• Electronic orders in multi-orbital Hubbard models with lifted orbital degeneracy
• Orbital-quenching-induced magnetism in Ba_2NaOsO_6
• On the possibility of excitonic magnetism in Ir double perovskites
• Doping-Induced Ferromagnetism and Possible Triplet Pairing in d4 Mott Insulators
• Phase diagram of exciton condensate in doped two-band Hubbard model
• Interplay between Spin-Orbit Coupling and Strong Correlation Effects: Comparison of Three Osmate Double Perovskites: Ba${}_{2}A$OsO${}_6$ ($A=$Na, Ca, Y)
• Novel magnetism on a honeycomb lattice in a-RuCl3 studied by muon spin rotation
• Metal-insulator transition in three-band Hubbard model with strong spin-orbit interaction
• Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with $(t_{2g}{)}^5$ electrons
• Interplay of Coulomb interaction and spin-orbit coupling

Cited by in corpus (35)

• The Challenge of Spin-Orbit-Tuned Ground States in Iridates
• Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4
• Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
• New Evidence for a Low-Temperature Magnetic Ground State in Double-Perovskite Iridates with Ir5+(5d4) Ions
• Unraveling the nature of magnetism of the 5${\mathbf{d}}^4$ double perovskite Ba${}_2$YIrO${}_6$
• Characteristic Timescales of the Local Moment Dynamics in Hund's-metals
• Nontrivial Triplon Topology and Triplon Liquid in Kitaev-Heisenberg-type Excitonic Magnets
• Density matrix renormalization group study of a three-orbital Hubbard model with spin-orbit coupling in one dimension
• State- and superstate-sampling in hybridization-expansion continuous-time quantum Monte Carlo
• Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
• Alleviating the Sign Problem in Quantum Monte Carlo Simulations of Spin-Orbit-Coupled Multi-Orbital Hubbard Models
• Spin-orbit coupling and correlations in three-orbital systems
• Interplay between spin-orbit coupling and van Hove singularity in the Hund's metallicity of Sr${}_2$RuO${}_4$
• Spin-orbit effects in pentavalent Iridates: Models and materials
• Pseudoparticle vertex solver for quantum impurity models
• Spin-orbit coupling in three-orbital Kanamori impurity model and its relevance for transition-metal oxides
• BCS-BEC crossover in a $(t_{2g}{)}^4$ Excitonic Magnet
• Spin freezing and the Sachdev-Ye model
• Soft and anisotropic local moments in 4$d$ and 5$d$ mixed-valence M${}_2$O${}_9$ dimers
• Magnetization dynamics fingerprints of an excitonic condensate $t_{2g}^4$ magnet
• Multipolar ordering in the three-orbital Hubbard model
• Novel $J_{\mathrm{eff}}$=3/2 Metallic Phase and Unconventional Superconductivity in GaTa${}_4$Se${}_8$
• Novel Block Excitonic Condensate at $n=3.5$ in a Spin-Orbit Coupled $t_{2g}$ Multiorbital Hubbard Model
• Chemical tuning between triangular and honeycomb structures in a 5$d$ spin-orbit Mott insulator
• Magnetic phases for two $t_{2g}$ holes with spin-orbit coupling and crystal field
• Possible superconductivity induced by a large spin-orbit coupling in carrier doped iridium oxide insulators: A weak coupling approach
• Effect of Off-Diagonal Elements in Wannier Hamiltonian on DFT+DMFT for low-symmetry material: Study of Li${}_2$MnO${}_3$
• Orbitally-selective Breakdown of the Fermi Liquid and Simultaneous Enhancement of Metallic and Insulating States in Correlated Multi-band Systems with Spin-orbit Coupling
• J = 0 nonmagnetic insulating state in K${}_2$Os$X_6$ (X = F, Cl and Br)
• A Novel ground state in a new dimer iridate Ba13Ir6O30 with Ir6+(5d3) Ions
• Coexistance of non-Fermi liquid behavior and bi-quadratic exchange coupling in La-substituted CeGe: Non-linear susceptibility and DFT + DMFT study
• Anomalous Fermi pockets on Hund's metal surface of Sr2RuO4 induced by the correlation-enhanced spin-orbit coupling
• Quantum magnetic properties and metal-to-insulator transition in chemically doped calcium ruthenate perovskite
• Symmetry breaking states in the half-filled two-orbital Hubbard model with crystalline electric field
• Hund's metallicity enhanced by van Hove singularity in cubic perovskite systems