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arXiv:2007.05054 · Physical review. B./Physical review. B

Entropy and electronic orders of the three-orbital Hubbard model with antiferromagnetic Hund coupling

Changming Yue, Shintaro Hoshino, Philipp Werner

Published Nov 2, 2020• 9 citations
arXivHTMLPDF

Abstract

An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region and a suppression in the composite ordered phase. The doping-dependent phase diagram shows that the composite ordered state can be stabilized in the doped Mott regime, if conventional electronic orders are suppressed by frustration. While antiferro-orbital order dominates the filling range $2\ensuremath{\lesssim}n\ensuremath{\le}3$ and ferro-orbital order dominates the strongly interacting region for $1\ensuremath{\lesssim}n<2$, we find superconductivity with a remarkably high ${T}_{c}$ around $n=1.5$ (quarter filling). Also in the doped system, there is a close connection between the orbital-freezing crossover and superconductivity.

DOI
10.1103/physrevb.102.195103

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An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we complement the previous studies by computing the entropy of the half-filled model, which exhibits an increase in the orbital-frozen region and a suppression in the composite ordered phase. The doping-dependent phase diagram shows that the composite ordered state can be stabilized in the doped Mott regime, if conventional electronic orders are suppressed by frustration. While antiferro-orbital order dominates the filling range 2\ensuremath≲n\ensuremath≤32\ensuremath{\lesssim}n\ensuremath{\le}32\ensuremath≲n\ensuremath≤3 and ferro-orbital order dominates the strongly interacting region for 1\ensuremath≲n<21\ensuremath{\lesssim}n<21\ensuremath≲n<2, we find superconductivity with a remarkably high Tc{T}_{c}Tc​ around n=1.5n=1.5n=1.5 (quarter filling). Also in the doped system, there is a close connection between the orbital-freezing crossover and superconductivity.
The Hund's coupling in multiorbital Hubbard systems induces spin freezing and associated Hund metal behavior. Using dynamical mean-field theory, we explore the effect of local moment formation, spin, and charge excitations on the entropy and specific heat of the three-orbital model. For fillings $2\ensuremath{\lesssim}n<3$ and low temperature, we demonstrate a substantial enhancement of the entropy in the spin-frozen metal phase to values comparable to the half-filled Mott insulator. We also discuss the appearance of entropy plateaus and peaks in the specific heat associated with the activation of spin and charge fluctuations at high temperature. The temperature scale for charge excitations is almost independent of filling and given by $\ensuremath{\approx}0.2U$, with UUU the intraorbital repulsion. Local spin excitations become relevant for filling n>1n>1n>1 and their characteristic temperature is proportional to the Hund coupling JJJ, with a filling-dependent prefactor. The analysis of the specific heat in the atomic limit yields accurate predictions for these features in the strong-coupling regime.
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 the continuous-time quantum Monte Carlo method. We find that the spin-freezing crossover occurring in the metallic phase of the nonrelativistic multiorbital Hubbard model can be generalized to a J-freezing crossover, with J=L+S, in the spin-orbit-coupled case. In the J-frozen regime the correlated electrons exhibit a nontrivial 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.
We study ordered phases with broken translational symmetry in the half-filled three-orbital Hubbard model with antiferromagnetic Hund coupling by means of dynamical mean-field theory (DMFT) and continuous-time quantum Monte Carlo simulations. The stability regions of the antiferro-orbital (AFO), antiferromagnetic (AFM), and charge density wave (CDW) states are determined by measuring the corresponding order parameters. We introduce two symmetrically distinct AFO order parameters and show that these are the primary order parameters in the phase diagram. The CDW and AFM states appear simultaneously with these two types of AFO orders in the weak and strong coupling region, respectively. The DMFT phase diagram is consistent with the results obtained by the Hartree approximation and strong-coupling perturbation theory. In the weak coupling regime, a nontrivial exponent $\ensuremath{\beta}=3/2$ is found for the CDW order parameter, which is related to the coupling between the CDW and AFO orders in the Landau theory characteristic for the three-orbital model. We also demonstrate the existence of a metallic AFO state without any charge disproportions and magnetic orders, which appears only at finite temperatures.
The search for hidden orders in photoexcited lattice systems is an active research field driven by experimental reports of light-induced or light-stabilized phases. In this study, we investigate hidden electronic orders in strongly correlated two-orbital Hubbard models with orbital-dependent bandwidths. In equilibrium, the half-filled systems are antiferromagnetically ordered. Using nonequilibrium dynamical mean field theory we demonstrate the appearance of nonthermal ferromagnetic order in the photodoped state, if the two bandwidths are sufficiently different, and its coexistence with spin-singlet $\ensuremath{\eta}$ superconductivity in the high photodoping region. Spin-triplet $\ensuremath{\eta}$-superconducting order appears instead if the two bandwidths are comparable. The rich nonequilibrium phasediagram uncovered in this work shows that Mott insulating multiorbital systems provide an interesting platform for the realization of nonthermal electronic orders.
Abstract The two-orbital Hubbard-Kanamori model is studied using the strong coupling diagram technique. This approach allows one to take into account the interactions of electrons with spin, charge, and orbital fluctuations of all ranges. It was found that, at low temperatures, the model has four regions of the negative electron compressibility, which can lead to charge inhomogeneities with the assistance of phonons. For half-filling, the phase diagram of the model contains regions of the Mott and Slater insulators, bad-metal, and states with spin-polaron peaks. These sharp peaks at the Fermi level are seen in doped states also. A finite Hund coupling leads to a large increase of antiferromagnetic spin correlations with strong suppression of charge and orbital fluctuations near half-filling. For moderate doping, all types of correlations become comparable. They peak at the antiferromagnetic wave vector except for a narrow region with an incommensurate response. Stronger doping destroys all correlations.
We solve the orbitally degenerate two-band Hubbard model within dynamical mean field theory and map out the instabilities to various symmetry-broken phases based on an analysis of the corresponding lattice susceptibilities. Phase diagrams as a function of the Hund coupling parameter JJJ are obtained both for the model with rotationally invariant interaction and for the model with Ising-type anisotropy. For negative JJJ, an intraorbital spin-singlet superconducting phase appears at low temperatures, while the normal state properties are characterized by an orbital-freezing phenomenon. This is the negative-J\text{negative-}Jnegative-J analog of the recently discovered fluctuating-moment induced s-waves\text{-wave}s-wave spin-triplet superconductivity in the spin-freezing regime of multiorbital models with J>0J>0J>0.