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, $T_\mathrm{sp} < T_\mathrm{orb}$, 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-of-the-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 SU(2)$\times$SU(3) 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 spin-orbital 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 $χ_\mathrm{sp}^\mathrm{imp} \sim ω^{-γ}$, with $γ> 1$.
We investigate a problem about the competition between the hybridization and the Hund-rule coupling by applying the Wilson numerical renormalization-group method to the extended Kondo model where the impurity spin interacts via the Hund-rule coupling, with an extra spin which is isolated from the conduction electrons. It is shown that the Hund-rule coupling is an irrelevant perturbation against the strong coupling fixed point. However, the Hund-rule coupling decreases the characteristic energy $T_K$ drastically to the lower side and the irrelevant operator, which describes the low energy physi…
We analyze a microscopic origin of the Kondo effect-assisted orbital order in heavy-fermion materials. By studying the periodic two-orbital Anderson model with two local electrons, we show that frustration of Hund's rule coupling due to the Kondo effect leads to an incommensurate spiral orbital and magnetic order, which exists only inside the Kondo screened (heavy-electron) phase. This spiral state can be observed in neutron and resonant X-ray scattering measurements in ${\rm U}$- and ${\rm Pr}$-based heavy-fermion compounds, and realized in cold atomic gases, e.g. fermionic ${}^{173}{\rm Yb}$…
By developing a simple scaling theory for the effect of Hund's interactions on the Kondo effect, we show how an exponential narrowing of the Kondo resonance develops in magnetic ions with large Hund's interaction. Our theory predicts an exponential reduction of the Kondo temperature with spin S of the Hund's coupled moment, a little-known effect first observed in d-electron alloys in the 1960's, and more recently encountered in numerical calculations on multi-band Hubbard models with Hund's interactions. We discuss the consequences of Kondo resonance narrowing for the Mott transition in d-band…
We study numerically the one-dimensional Kondo and Hund lattices consisting of localized spins interacting antiferro or ferromagnetically with the itinerant electrons, respectively. Using the Density Matrix Renormalization Group we find, for both models and in the small coupling regime, the existence of new magnetic phases where the local spins order forming ferromagnetic islands coupled antiferromagnetically. Furthermore, by increasing the interaction parameter $|J|$ we find that this order evolves toward the ferromagnetic regime through a spiral-like phase with longer characteristic wave len…
We study the ground-state properties of an extended periodic Anderson model to understand the role of Hund's coupling between localized and itinerant electrons using the density-matrix renormalization group algorithm. By calculating the von Neumann entropies we show that two phase transitions occur and two new phases appear as the hybridization is increased in the symmetric half-filled case due to the competition between Kondo-effect and Hund's coupling. In the intermediate phase, which is bounded by two critical points, we found a dimerized ground state, while in the other spatially homogeneo…
We study the three-orbital Kondo effect in quantum dot (QD) systems by applying the non-crossing approximation to the three-orbital Anderson impurity model. By investigating the tunneling conductance through a QD, we show that the competition between the Hund-coupling and the orbital level-splitting gives rise to characteristic behavior in transport properties. It is found that the Hund-coupling becomes more important in the three-orbital case than in the two-orbital case. We also show that the enhancement of Kondo temperature due to the singlet-triplet mechanism suggested for the two-orbital …
We review here some universal aspects of the physics of two-electron molecular transistors in the absence of strong spin-orbit effects. Several recent quantum dots experiments have shown that an electrostatic backgate could be used to control the energy dispersion of magnetic levels. We discuss how the generically asymmetric coupling of the metallic contacts to two different molecular orbitals can indeed lead to a gate-tunable Hund's rule in the presence of singlet and triplet states in the quantum dot. For gate voltages such that the singlet constitutes the (non-magnetic) ground state, one ge…
Due to the separation between the spin and the orbital screening scales, the normal state of Hund's metals at ambient temperature can be loosely characterized as a partially coherent state with fluctuating spins and quenched orbital moments. With the aim to characterize this situation more precisely, we investigate the Kondo-Kanamori impurity model that describes the low-energy local physics of three-orbital Hund's metals occupied by two or four electrons. Within this model one can diminish the mixed spin-orbital terms and thereby enhance the separation between the two screening scales, allowi…
Starting from the two-orbital Kondo-lattice model with classical t_2g spins, an effective spinless fermion model is derived for strong Hund coupling J_H with a projection technique. The model is studied by Monte Carlo simulations and analytically using a uniform hopping approximation. The results for the spinless fermion model are in remarkable agreement with those of the original Kondo-lattice model, independent of the carrier concentration, and even for moderate Hund coupling J_H. Phase separation, the phase diagram in uniform hopping approximation, as well as spectral properties including t…
We study the Kondo effect and related transport properties in orbitally degenerate vertical quantum dot systems with plural electrons. Applying the non-crossing approximation to the three-orbital Anderson impurity model with the finite Coulomb interaction and Hund-coupling, we investigate the magnetic-field dependence of the conductance and thermopower. We also introduce an additional orbital splitting to take account of the realistic many-body effect in the vertical quantum dot system. It is clarified how the three-orbital Kondo effect influences the transport properties via the modulation of…
Motivated by the relevance of Hund's coupling in the context of multiorbital superconductors, we revisit the problem of a multiorbital Kondo impurity with Hund's interaction. Using dynamical large-N techniques, we propose an efficient approach that retains the essential physics at play, while providing a pathway to scalable quantum impurity solvers. We are able to follow the ground state, dynamic, and thermodynamic properties of this system over many decades of temperature. Our approach captures the emergence of large moments, and follows the stretched evolution of the physics down to their ex…
We investigate the one-dimensional ferromagnetic Kondo lattice in the hole-rich region. Of interest to us is the intermediate situation where the ferromagnetic Kondo coupling (Hund's coupling) is comparable to the electron bandwidth. The forced alignment favors triplet states whereas singlet states enter in a quite low-density regime. The direct antiferromagnetic exchange between the core spins is assumed to still prevail over the double exchange. We discuss a solvable limit showing that short-range antiferromagnetism in the spin array will affect the coherent propagation of triplets, i.e., tu…
Hund's metals are multi-orbital systems with $3d$ or $4d$ electrons exhibiting both itinerant character and local moments, and they feature Kondo-like screenings of local orbital and spin moments, with suppressed coherence temperature driven by Hund's coupling $J_H$. They often exhibit magnetic order at low temperature, but how the interaction between the Kondo-like screening and long-range magnetic order is manifested in the quasiparticle spectrum remains an open question. Here we present spectroscopic signature of such interaction in a Hund's metal candidate MnSi exhibiting weak ferromagneti…
We study the spin-$\frac32$ Hubbard-Kondo lattice model by means of the Composite Operator Method, after applying a Holstein-Primakov transformation. The spin and particle dynamics in the ferromagnetic state are calculated by taking into account strong on-site correlations between electrons and antiferromagnetic exchange among $\frac32$ spins, together with usual Hund coupling between electrons and spins.
A theory is presented which accounts for the dynamical generation of a hybridization gap with nodes in the Kondo insulating materials $CeNiSn$ and $CeRhSb$. We show that Hunds interactions acting on virtual $4f^2$ configurations of the cerium ion can act to dynamically select the shape of the cerium ion by generating a Weiss field which couples to the shape of the ion. In low symmetry crystals where the external crystal fields are negligible, this process selects a nodal Kondo semimetal state as the lowest energy configuration.
We present a general model which includes the ferromagnetic Kondo lattice and the Hubbard model as special cases. The stability of the ferromagnetic state is investigated variationally. We discuss the mechanism of ferromagnetism in metallic nickel, emphasizing the importance of orbital degeneracy and the effect of the Hund's-rule coupling.
The thermodynamic Bethe ansatz equations of the Coqblin-Schrieffer model have been solved numerically. The full N=6 (J=5/2) degeneracy of the Hund's rule ionic ground state of Ce is taken into account. Results for the temperature dependent magnetic susceptibility parallel and perpendicular to the crystal axis are presented. The deviations, due to the Kondo effect, to the non-interacting ion results are pointed out.
We investigate the phase diagram of an extended Kondo lattice model for doped manganese oxides in the presence of strong but finite Hund's coupling and on-site Coulomb interaction. By means of the Schwinger-boson mean-field approach, it is found that, besides magnetic ordering, there will be non-uniform charge distributions, such as charge ordering and phase separation, if the interaction between electrons prevails over the hybridization. Which of the charge ordering and phase separation appears is determined by a competition between effective repulsive and attractive interactions due to virtu…
Studies of the effects of the Hund's rule coupling J_H in multiple orbit impurities or quantum dots using different models have led to quite different predictions for the Kondo temperature T_K as a function of J_H. We show that the differences depend on whether or not the models conserve orbital angular momentum about the impurity site. Using numerical renormalization group (NRG) calculations, we deduce the renormalized parameters for the Fermi liquid regime, and show that, despite the differences between the models, the low energy fixed point in the strong correlation regime is universal with…
We study a Co-benzene sandwich molecule bridging the tips of a Cu nanocontact as a realistic model of correlated molecular transport. To this end we employ a recently developed method for calculating the correlated electronic structure and transport properties of nanoscopic conductors. When the molecule is slightly compressed by the tips of the nanocontact the dynamic correlations originating from the strongly interacting Co 3d shell give rise to an orbital Kondo effect while the usual spin Kondo effect is suppressed due to Hund's rule coupling. This non-trivial Kondo effect produces a sharp a…
Many correlated metallic materials are described by Landau Fermi-liquid theory at low energies, but for Hund metals the Fermi-liquid coherence scale $T_{\text{FL}}$ is found to be surprisingly small. In this Letter, we study the simplest impurity model relevant for Hund metals, the three-channel spin-orbital Kondo model, using the numerical renormalization group (NRG) method and compute its global phase diagram. In this framework, $T_{\text{FL}}$ becomes arbitrarily small close to two new quantum critical points (QCPs) which we identify by tuning the spin or spin-orbital Kondo couplings into t…
We have employed a magnetic field angle as a tuning parameter in a comprehensive measurement of the specific heat, magnetocaloric effect, and magnetization for the quasi-kagome Kondo lattice CeRhSn, which is considered to exhibit zero-field quantum criticality driven by geometrical frustration. By constructing the field-angle-resolved landscape of the entropy, we unexpectedly revealed that the non-Fermi-liquid nature survives up to a metamagnetic crossover field of roughly 3 T in the very narrow field-orientation range, close to the direction parallel to the quasi-kagome plane. We propose that…
We study non-equilibrium current fluctuations through a quantum dot, which includes a ferromagnetic Hund's rule coupling $J$, in the low-energy Fermi liquid regime using the renormalized perturbation theory. The resulting cumulant for the current distribution in the particle-hole symmetric case, shows that spin-triplet and spin-singlet pairs of quasiparticles are formed in the current due to the Hund's rule coupling and these pairs enhance the current fluctuations. In the fully screened higher-spin Kondo limit, the Fano factor takes a value $F_b = (9M+6)/ (5M+4)$ determined by the orbital dege…
We extend the renormalized perturbation theory for the single impurity Anderson model to the n-channel model with a Hund's rule coupling, and show that the exact results for the spin, orbital and charge susceptibilities, as well as the leading low temperature dependence for the resistivity, are obtained by working to second order in the renormalized couplings. A universal relation is obtained between the renormalized parameters, independent of n, in the Kondo regime. An expression for the dynamic spin susceptibility is also derived by taking into account repeated quasiparticle scattering, whic…
We describe the transition from a ferromagnetic phase, to a disordered para- magnetic phase, which occurs in one-dimensional Kondo lattice models with partial conduction band filling. The transition is the quantum order-disorder transition of the transverse-field Ising chain, and reflects double-exchange ordered regions of localized spins being gradually destroyed as the coupling to the conduction electrons is reduced. For incommensurate conduction band filling, the low-energy properties of the localized spins near the transition are dominated by anomalous ordered (disordered) regions of local…
The renormalization group formalism was applied to calculate the spin-lattice relaxation rate of a well-defined magnetic moment in the neighborhood of a spin degenerate Anderson impurity. In the Kondo regime, the spin-lattice relaxation rate as a function of the temperature presents a peak at the Kondo temperature; for temperature much lower then the Kondo temperature, the system behaves as a heavy Fermy liquid, with an enhanced density of states, which increases with the decreasing of the Kondo temperature; the product of the temperature by the relaxation rate remains an universal function of…
By using the projection operator technique it is observed that the strong Hund's rule coupling and s-d interaction in transition metal elements may lead to an effective coupling between the spin current and spin spirality. As a result, the spin spirality can be regarded as a driving force to produce a spin current. The spin current may give rise to a novel type of field acting on the spins. A spin battery is designed based on the interactions between the spin current and spin spirality.
We investigate the influence of the Jahn-Teller distortion and a direct antiferromagnetic moment coupling as extensions to a two-band Kondo lattice model for the magnetic and electronic properties of manganites. Those are calculated self-consistently via an interpolating self-energy model and a modified RKKY technique using finite Hund coupling and quantum spins. We found that both effects are essential to achieve realistic Curie temperatures if we regard intraband Coulomb repulsion. Using reliable model parameters we got results which are in very good agreement with experimental data in the w…
By means of ab initio calculations we study the effect of O-doping of Au chains containing a nanocontact represented by a Ni atom as a magnetic impurity. In contrast to pure Au chains, we find that with a minimun O-doping the $5d_{xz,yz}$ states of Au are pushed up, crossing the Fermi level. We also find that for certain O configurations, the Ni atom has two holes in the degenerate $3d_{xz,yz}$ orbitals, forming a spin $S=1$ due to a large Hund interaction. The coupling between the $5d_{xz,yz}$ Au bands and the $3d_{xz,yz}$ of Ni states leads to a possible realization of a two-channel $S=1$ Ko…
We study an impurity Anderson model to describe an iron phthalocyanine (FePc) molecule on Au(111), motivated by previous results of scanning tunneling spectroscopy (STS) and theoretical studies. The model hybridizes a spin doublet consisting in one hole at the $3d_{z^2}$ orbital of iron and two degenerate doublets corresponding to one hole either in the $3d_{xz}$ or in the $3d_{yz}$ orbital (called $π$ orbitals) with two degenerate Hund-rule triplets with one hole in the $3d_{z}$ orbital and another one in a $π$ orbital. We solve the model using a slave-boson mean-field approximation (SBMFA). …
We present electronic structure calculations of a CrO$_{2}$ compound in the paramagnetic state within the computational scheme of density-functional theory combined with dynamical mean-field theory. We find that CrO$_{2}$ in the paramagnetic state is a strongly-correlated Hund's metal with mixed-valent Cr ions. At high temperatures, CrO$_{2}$ shows an orbital-selective Mott phase, in which the Cr $d_{xy}$ orbital is Mott-localized while the other Cr $t_{2g}$ $d$ orbitals remain itinerant. When the temperature is lowered, the orbital-selective Mott state is found to evolve into a Kondo-like hea…
We investigate a multi-orbital extension of the periodic Anderson model with particular emphasis on electron correlations including orbital fluctuations. By means of a linearized version of the dynamical mean-field theory, we compute the renormalization factor, the density of states, the spectral gap and the local correlation functions for a given set of the intra- and inter-orbital Coulomb interactions as well as the Hund coupling. It is found that when a certain condition is met for the intra- and inter-orbital interactions for $f$ electrons, orbital fluctuations are enhanced, thereby enlarg…
We study the interplay between Mott physics, driven by Coulomb repulsion U, and Hund physics, driven by Hund's coupling J, for a minimal model for Hund metals, the orbital-symmetric three-band Hubbard-Hund model (3HHM) for a lattice filling of 1/3. Hund-correlated metals are characterized by spin-orbital separation (SOS), a Hund's-rule-induced two-stage Kondo-type screening process, in which spin screening occurs at much lower energy scales than orbital screening. By contrast, in Mott-correlated metals, lying close to the phase boundary of a metal-insulator transition, the SOS window becomes n…
The recently proposed theoretical concept of a Hund's metal is regarded as a key to explain the exotic magnetic and electronic behavior occuring in the strongly correlated electron systems of multiorbital metallic materials. However, a tuning of the abundance of parameters, that determine these systems, is experimentally challenging. Here, we investigate the smallest possible realization of a Hund's metal, a Hund's impurity, realized by a single magnetic impurity strongly hybridized to a metallic substrate. We experimentally control all relevant parameters including magnetic anisotropy and hyb…
The phase diagram of the Kondo lattice Hamiltonian with ferromagnetic Hund's coupling in the limit where the spin of the localized $t_{2g}$ electrons is classical is analyzed in one dimension as a function of temperature, electronic density, and a direct antiferromagnetic coupling $J'$ between the localized spins. Studying static and dynamical properties, a behavior that qualitatively resembles experimental results for manganites occurs for $J'$ smaller than 0.11 in units of the $e_g$ hopping amplitude. In particular a coexistence of ferromagnetic and antiferromagnetic excitations is observed …
We explore the predictions of the renormalized perturbation theory for an n-channel Anderson model, both with and without Hund's rule coupling, in the regime away from particle-hole symmetry. For the model with n=2 we deduce the renormalized parameters from numerical renormalization group calculations, and plot them as a function of the occupation at the impurity site, nd. From these we deduce the spin, orbital and charge susceptibilities, Wilson ratios and quasiparticle density of states at T=0, in the different parameter regimes, which gives a comprehensive overview of the low energy behavio…
Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the numerical renormalization group as a real-frequency impurity solver for a dynamical mean-field study of three-orbital Hubbard models, where a crystal field shifts one orbital in energy. The individual phases are characterized with dynamic correlation functions and their relation to diverse Kondo temperatures. Upon approaching the orbital-selective Mott transi…
We study the emergence of quasiparticles in Hund's metals with an SU($M$)$\times$SU($N$)-symmetric Kondo impurity model carrying both spin and orbital degrees of freedom. We show that the coupling of the impurity spin to the conduction electrons can be \emph{ferromagnetic}, notably for hole-doped iron pnictides. We derive the weak-coupling renormalization group (RG) equations for arbitrary representations of SU($M$)$\times$SU($N$). A ferromagnetic spin coupling results in a protracted RG flow, accounting for the surprising particle-hole asymmetry that is observed in the iron-pnictide systems. …
The phase diagram of the ferromagnetic Kondo model for manganites is investigated using computational techniques. In clusters of dimensions 1 and 2, Monte Carlo simulations in the limit where the localized spins are classical show a rich low temperature phase diagram with three dominant regions: (i) a ferromagnetic phase, (ii) phase separation between hole-poor antiferromagnetic and hole-rich ferromagnetic domains, and (iii) a phase with incommensurate spin correlations. Possible experimental consequences of the regime of phase separation are discussed. Studies using the Lanczos algorithm and …
We extend the formulation of the spin wave theory for the Kondo lattice model, which was mainly used for the ferromagnetic metallic state, to general magnetic orders including complex noncollinear and noncoplanar orders. The 1/S expansion is reformulated in the matrix form depending on the size of the magnetic unit cell. The noncollinearity and noncoplanarity of the localized moments are properly taken into account by the matrix elements of the para-unitary matrix used in the diagonalization of the Bogoliubov-de Gennes type Hamiltonian for magnons. We apply the formulation within the linear sp…
We discuss the low-energy physics of the three-orbital Anderson impurity model with the Coulomb interaction term of the Kanamori form which has orbital SO(3) and spin SU(2) symmetry and describes systems with partially occupied $t_{2g}$ shells. We focus on the case with two electrons in the impurity that is relevant to Hund's metals. Using the Schrieffer-Wolff transformation we derive an effective Kondo model with couplings between the bulk and impurity electrons expressed in terms of spin, orbital, and orbital quadrupole operators. The bare spin-spin Kondo interaction is much smaller than the…
SmB6 is a mixed valence Kondo insulator that exhibits a sharp increase in resistance following an activated behavior that levels off and saturates below 4K. This behavior can be explained by the proposal of SmB6 representing a new state of matter, a Topological Kondo insulator, in which a Kondo gap is developed and topologically protected surface conduction dominates low-temperature transport. Exploiting its non-linear dynamics, a tunable SmB6 oscillator device was recently demonstrated, where a small DC current generates large oscillating voltages at frequencies from a few Hz to hundreds of M…
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 http://dx.doi.org/10.1103/PhysRevB.81.035106}{Phys. Rev. B {\bf 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 quasi-particle weight with bad me…
We characterize the low-energy physics of the two-orbital Hubbard model in the orbital-selective Mott phase, in which one band is metallic and the other insulating. Using dynamical mean-field theory with the numerical renormalization group at zero temperature, we show that this phase has a ferromagnetic instability for any nonzero Hund's rule exchange interaction, which can be understood in terms of an effective spin-1 Kondo Hamiltonian. The metallic band therefore behaves as a singular Fermi liquid for which the self-energy has a logarithmic singularity at the Fermi energy.
Quantum orbital selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hund's coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin su…
The infinite-layer structure nickelate Ba$_2$NiO$_2$(AgSe)$_2$ (BNOAS) with $d^8$ Ni ions and a peculiar susceptibility $χ(T)$ is studied with correlated density functional methods. The overriding feature of the calculations is violation of Hund's rule coupled with complete but unconventional spin-orbital polarization, leading to an unexpected low spin $^1B_1$, "off-diagonal singlet" (ODS) textured by an internal orbital structure of compensating $d_{x^2-y^2}^{\uparrow}$ and $d_{z^2}^{\downarrow}$ spins. This unconventional configuration has lower energy than conventional high-spin or low-spin…
We investigate the effects of the spin-orbit coupling (SOC) in a three-orbital impurity model with Kanamori interaction using the numerical renormalization group method. We focus on the impurity occupancy $N_d=2$ relevant to the dynamical mean-field theory studies of Hund's metals. Depending on the strength of SOC $λ$ we identify three regimes: usual Hund's impurity for $|λ|<λ_c$, van-Vleck non-magnetic impurity for $λ> λ_c$, and a $J=2$ impurity for $λ< -λ_c$. They all correspond to a Fermi liquid but with very different quasiparticle phase shifts and different physical properties. The crosso…
