Spin-freezing is the origin of bad-metal physics and non-Fermi liquid (non-FL) properties in a broad range of correlated compounds. In a multi-orbital lattice system with Hund coupling, doping of the half-filled Mott insulator results in a highly incoherent metal with frozen magnetic moments. These moments fluctuate and collapse in a crossover region that is characterized by unusual non-Fermi liquid properties such as a self-energy whose imaginary part varies over a significant energy range. At low enough temperature, the local moment fluctuations induce electron pairing, which may be a generic mechanism for unconventional superconductivity. While this physics has been discovered in numerical studies of multi-orbital Hubbard systems, it exhibits a striking similarity to the analytically solvable Sachdev-Ye (SY) model, and its recent fermionic extensions. Here, we explore the relation between spin-freezing and SY physics, and thus shed light on fundamental properties of Hund metals.Spin-freezing is the origin of bad-metal physics and non-Fermi liquid (non-FL) properties in a broad range of correlated compounds. In a multi-orbital lattice system with Hund coupling, doping of the half-filled Mott insulator results in a highly incoherent metal with frozen magnetic moments. These moments fluctuate and collapse in a crossover region that is characterized by unusual non-Fermi liquid properties such as a self-energy whose imaginary part varies over a significant energy range. At low enough temperature, the local moment fluctuations induce electron pairing, which may be a generic mechanism for unconventional superconductivity. While this physics has been discovered in numerical studies of multi-orbital Hubbard systems, it exhibits a striking similarity to the analytically solvable Sachdev-Ye (SY) model, and its recent fermionic extensions. Here, we explore the relation between spin-freezing and SY physics, and thus shed light on fundamental properties of Hund metals.

Jan 23, 20199 citations

Out-of-time-ordered correlators of the Hubbard model: Sachdev-Ye-Kitaev strange metal in the spin-freezing crossover region

Naoto Tsuji, Philipp Werner

The Sachdev-Ye-Kitaev (SYK) model describes a strange metal that shows peculiar non-Fermi-liquid properties without quasiparticles. It exhibits a maximally chaotic behavior characterized by out-of-time-ordered correlators (OTOCs), and is expected to be a holographic dual to black holes. While a faithful realization of the SYK model in condensed-matter systems may be involved, a striking similarity between the SYK model and the Hund-coupling-induced spin-freezing crossover in multiorbital Hubbard models has recently been pointed out. To further explore this connection, we study OTOCs for fermionic single-orbital and multiorbital Hubbard models, which are prototypical models for strongly correlated electrons in solids. We introduce an imaginary-time four-point correlation function with an appropriate time ordering, which by means of the spectral representation and the out-of-time-order fluctuation-dissipation theorem can be analytically continued to real-time OTOCs. Based on this approach, we numerically evaluate real-time OTOCs for Hubbard models in the thermodynamic limit, using the dynamical mean-field theory in combination with a numerically exact continuous-time Monte Carlo impurity solver. The results for the single-orbital model show that a certain spin-related OTOC captures local moment formation in the vicinity of the metal-insulator transition, while the self-energy does not show SYK-type non-Fermi-liquid behavior. On the other hand, for the two- and three-orbital models with nonzero Hund coupling we find that the OTOC exhibits a rapid damping at short times and an approximate power-law decay at longer times in the spin-freezing crossover regime characterized by fluctuating local moments and a non-Fermi-liquid self-energy $\mathrm{\ensuremath{\Sigma}}(\ensuremath{\omega})\ensuremath{\sim}\sqrt{\ensuremath{\omega}}$. These results are in a good agreement with the behavior of the SYK model, providing firm evidence for the close relation between the spin-freezing crossover physics of multiorbital Hubbard models and the SYK strange metal.The Sachdev-Ye-Kitaev (SYK) model describes a strange metal that shows peculiar non-Fermi-liquid properties without quasiparticles. It exhibits a maximally chaotic behavior characterized by out-of-time-ordered correlators (OTOCs), and is expected to be a holographic dual to black holes. While a faithful realization of the SYK model in condensed-matter systems may be involved, a striking similarity between the SYK model and the Hund-coupling-induced spin-freezing crossover in multiorbital Hubbard models has recently been pointed out. To further explore this connection, we study OTOCs for fermionic single-orbital and multiorbital Hubbard models, which are prototypical models for strongly correlated electrons in solids. We introduce an imaginary-time four-point correlation function with an appropriate time ordering, which by means of the spectral representation and the out-of-time-order fluctuation-dissipation theorem can be analytically continued to real-time OTOCs. Based on this approach, we numerically evaluate real-time OTOCs for Hubbard models in the thermodynamic limit, using the dynamical mean-field theory in combination with a numerically exact continuous-time Monte Carlo impurity solver. The results for the single-orbital model show that a certain spin-related OTOC captures local moment formation in the vicinity of the metal-insulator transition, while the self-energy does not show SYK-type non-Fermi-liquid behavior. On the other hand, for the two- and three-orbital models with nonzero Hund coupling we find that the OTOC exhibits a rapid damping at short times and an approximate power-law decay at longer times in the spin-freezing crossover regime characterized by fluctuating local moments and a non-Fermi-liquid self-energy $\mathrm{\ensuremath{\Sigma}}(\ensuremath{\omega})\ensuremath{\sim}\sqrt{\ensuremath{\omega}}$. These results are in a good agreement with the behavior of the SYK model, providing firm evidence for the close relation between the spin-freezing crossover physics of multiorbital Hubbard models and the SYK strange metal.

arXiv:1812.04217Physical review. B./Physical review. BMar 21, 201914 citations

Frozen spin ratio and the detection of Hund correlations

Siheon Ryee, Sangkook Choi, Myung Joon Han

We propose a way to identify strongly Hund-correlated materials by unveiling a key signature of Hund correlations at the two-particle level. The defining feature is the sign of the response of the frozen spin ratio (the long-time local spin-spin correlation function divided by the instantaneous value) under variation of electron density. The underlying physical reason is that the sign is closely related to the strength of charge fluctuations between the dominant atomic multiplets and higher-spin ones in a neighboring charge subspace. It is the predominance of these fluctuations that promotes Hund metallicity. The temperature dependence of the frozen spin ratio can further reveal a non-Fermi-liquid behavior and thus the Hund metal states. We analyze both degenerate and nondegenerate multiorbital Hubbard models and corroborate our argument by taking doped ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$ and LaFeAsO as representative material examples, respectively, of Mott and Hund metals. Our proposal should be applicable to systems with non-half-filled integer electron fillings and their doped cases provided the doping drove the electron density toward the half filling.We propose a way to identify strongly Hund-correlated materials by unveiling a key signature of Hund correlations at the two-particle level. The defining feature is the sign of the response of the frozen spin ratio (the long-time local spin-spin correlation function divided by the instantaneous value) under variation of electron density. The underlying physical reason is that the sign is closely related to the strength of charge fluctuations between the dominant atomic multiplets and higher-spin ones in a neighboring charge subspace. It is the predominance of these fluctuations that promotes Hund metallicity. The temperature dependence of the frozen spin ratio can further reveal a non-Fermi-liquid behavior and thus the Hund metal states. We analyze both degenerate and nondegenerate multiorbital Hubbard models and corroborate our argument by taking doped ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$ and LaFeAsO as representative material examples, respectively, of Mott and Hund metals. Our proposal should be applicable to systems with non-half-filled integer electron fillings and their doped cases provided the doping drove the electron density toward the half filling.

arXiv:2207.10421Physical Review ResearchAug 25, 20236 citations

Orbital-selective bad metals due to Hund's rule and orbital anisotropy: A finite-temperature slave-spin treatment of the two-band Hubbard model

Alejandro Mezio, Ross H. McKenzie

We study the finite-temperature properties of the half-filled two-band Hubbard model in the presence of Hund's rule coupling and orbital anisotropy. We use the mean-field treatment of the ${Z}_{2}$ slave-spin theory with a finite-temperature extension of the zero-temperature gauge variable previously developed by Hassan and de' Medici [Phys. Rev. B 81, 035106 (2010)]. We consider the instability of the Fermi-liquid phases and how it is enhanced by the Hund's rule. We identify paramagnetic solutions that have zero quasiparticle weight with a bad metal, and the first-order transition temperature between the bad metal and the Fermi-liquid phase as a coherence temperature that signals the crossover to the bad metallic state. When orbital anisotropy is present, we found an intermediate transition to an orbital-selective bad metal (OSBM), where the narrow band becomes a bad metal while the wide band remains a renormalized Fermi liquid. The temperatures ${T}_{\text{coh}}$ and ${T}_{\text{OSBM}}$ at which the system transitions to the bad metal phases can be orders of magnitude less than the Fermi temperature associated with the noninteracting band. The parameter dependence of the temperature at which the OSBM is destroyed can be understood in terms of a ferromagnetic Kondo-Hubbard lattice model. In general, Hund's rule coupling enhances the bad metallic phases, reduces interorbital charge fluctuations, and increases spin fluctuations. The qualitative difference found in the ground state whether the Hund's rule is present or not, related to the degeneracy of the low-energy manifold, is also maintained for finite temperatures.We study the finite-temperature properties of the half-filled two-band Hubbard model in the presence of Hund's rule coupling and orbital anisotropy. We use the mean-field treatment of the ${Z}_{2}$ slave-spin theory with a finite-temperature extension of the zero-temperature gauge variable previously developed by Hassan and de' Medici [Phys. Rev. B 81, 035106 (2010)]. We consider the instability of the Fermi-liquid phases and how it is enhanced by the Hund's rule. We identify paramagnetic solutions that have zero quasiparticle weight with a bad metal, and the first-order transition temperature between the bad metal and the Fermi-liquid phase as a coherence temperature that signals the crossover to the bad metallic state. When orbital anisotropy is present, we found an intermediate transition to an orbital-selective bad metal (OSBM), where the narrow band becomes a bad metal while the wide band remains a renormalized Fermi liquid. The temperatures ${T}_{\text{coh}}$ and ${T}_{\text{OSBM}}$ at which the system transitions to the bad metal phases can be orders of magnitude less than the Fermi temperature associated with the noninteracting band. The parameter dependence of the temperature at which the OSBM is destroyed can be understood in terms of a ferromagnetic Kondo-Hubbard lattice model. In general, Hund's rule coupling enhances the bad metallic phases, reduces interorbital charge fluctuations, and increases spin fluctuations. The qualitative difference found in the ground state whether the Hund's rule is present or not, related to the degeneracy of the low-energy manifold, is also maintained for finite temperatures.

arXiv:1903.07237Physical review. B./Physical review. BNov 22, 20198 citations

Uncovering Non-Fermi-Liquid Behavior in Hund Metals: Conformal Field Theory Analysis of an SU(2)×SU(3) Spin-Orbital Kondo Model

E. Walter, K. M. Stadler, S.-S. B. Lee +4 more

Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state.When studying Hund metals using dynamical mean-field theory, one arrives at a self-consistent "Hund impurity problem" involving a multiorbital quantum impurity with nonzero Hund coupling interacting with a metallic bath.If its spin and orbital degrees of freedom are screened at different energy scales, T sp < T orb , the intermediate energy window is governed by a novel NFL fixed point, whose nature had not yet been clarified.We resolve this problem by providing an analytical solution of a paradigmatic example of a Hund impurity problem, involving two spin and three orbital degrees of freedom.To this end, we combine a state-ofthe-art implementation of the numerical renormalization group, capable of exploiting non-Abelian symmetries, with a generalization of Affleck and Ludwig's conformal field theory (CFT) approach for multichannel Kondo models.We characterize the NFL fixed point of Hund metals in detail for a Kondo model with an impurity forming an SUð2Þ × SUð3Þ spin-orbital multiplet, tuned such that the NFL energy window is very wide.The impurity's spin and orbital susceptibilities then exhibit striking power-law behavior, which we explain using CFT arguments.We find excellent agreement between CFT predictions and numerical renormalization group results.Our main physical conclusion is that the regime of spinorbital separation, where orbital degrees of freedom have been screened but spin degrees of freedom have not, features anomalously strong local spin fluctuations: the impurity susceptibility increases as χ imp sp ∼ ω -γ , with γ > 1.Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state.When studying Hund metals using dynamical mean-field theory, one arrives at a self-consistent "Hund impurity problem" involving a multiorbital quantum impurity with nonzero Hund coupling interacting with a metallic bath.If its spin and orbital degrees of freedom are screened at different energy scales, T sp < T orb , the intermediate energy window is governed by a novel NFL fixed point, whose nature had not yet been clarified.We resolve this problem by providing an analytical solution of a paradigmatic example of a Hund impurity problem, involving two spin and three orbital degrees of freedom.To this end, we combine a state-ofthe-art implementation of the numerical renormalization group, capable of exploiting non-Abelian symmetries, with a generalization of Affleck and Ludwig's conformal field theory (CFT) approach for multichannel Kondo models.We characterize the NFL fixed point of Hund metals in detail for a Kondo model with an impurity forming an SUð2Þ × SUð3Þ spin-orbital multiplet, tuned such that the NFL energy window is very wide.The impurity's spin and orbital susceptibilities then exhibit striking power-law behavior, which we explain using CFT arguments.We find excellent agreement between CFT predictions and numerical renormalization group results.Our main physical conclusion is that the regime of spinorbital separation, where orbital degrees of freedom have been screened but spin degrees of freedom have not, features anomalously strong local spin fluctuations: the impurity susceptibility increases as χ imp sp ∼ ω -γ , with γ > 1.

arXiv:1908.04362Physical Review XSep 3, 202019 citations

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

Changming Yue, Shintaro Hoshino, Philipp Werner

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.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.

arXiv:2007.05054Physical review. B./Physical review. BNov 2, 20209 citations

{\mathrm{La}}_{2}{\mathrm{CuO}}_{4}

and LaFeAsO as representative material examples, respectively, of Mott and Hund metals. Our proposal should be applicable to systems with non-half-filled integer electron fillings and their doped cases provided the doping drove the electron density toward the half filling.

We study the finite-temperature properties of the half-filled two-band Hubbard model in the presence of Hund's rule coupling and orbital anisotropy. We use the mean-field treatment of the

{Z}_{2}

slave-spin theory with a finite-temperature extension of the zero-temperature gauge variable previously developed by Hassan and de' Medici [Phys. Rev. B 81, 035106 (2010)]. We consider the instability of the Fermi-liquid phases and how it is enhanced by the Hund's rule. We identify paramagnetic solutions that have zero quasiparticle weight with a bad metal, and the first-order transition temperature between the bad metal and the Fermi-liquid phase as a coherence temperature that signals the crossover to the bad metallic state. When orbital anisotropy is present, we found an intermediate transition to an orbital-selective bad metal (OSBM), where the narrow band becomes a bad metal while the wide band remains a renormalized Fermi liquid. The temperatures

{T}_{\text{coh}}

and

{T}_{\text{OSBM}}

at which the system transitions to the bad metal phases can be orders of magnitude less than the Fermi temperature associated with the noninteracting band. The parameter dependence of the temperature at which the OSBM is destroyed can be understood in terms of a ferromagnetic Kondo-Hubbard lattice model. In general, Hund's rule coupling enhances the bad metallic phases, reduces interorbital charge fluctuations, and increases spin fluctuations. The qualitative difference found in the ground state whether the Hund's rule is present or not, related to the degeneracy of the low-energy manifold, is also maintained for finite temperatures.

{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.