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.

13 pages, 10 figures

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• Novel Block Excitonic Condensate at $n=3.5$ in a Spin-Orbit Coupled $t_{2g}$ Multiorbital Hubbard Model
• Orbitally-selective Breakdown of the Fermi Liquid and Simultaneous Enhancement of Metallic and Insulating States in Correlated Multi-band Systems with Spin-orbit Coupling
• 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
• Hund's metallicity enhanced by van Hove singularity in cubic perovskite systems