We propose an energy-scale correspondence between the Mott physics and the Kondo lattice physics and construct a tentative phase diagram of their correlated electrons with two characteristic energy scales $ω^*$ and $Ω$ marking the upper boundary of a low-energy regime with well-developed long-range coherence and the lower boundary of localized spectral weight in the energy space, respectively. In between, there exists a crossover region with emergent but damped quasiparticle excitations. We argue that the presence of two separate energy scales is a generic property of correlated electrons on a lattice and reflects an intrinsic two-stage process of the quasiparticle dynamics to build up the lattice coherence. For the Hubbard model, they correspond to the kink and waterfall structures on the dispersion, while for the periodic Anderson model, they are associated with the indirect and direct hybridization gaps. Our work reveals a deep connection between the Mott and Kondo lattice physics and provides a basic ingredient for the study of many-body systems.
We show within the slave boson technique, that the Anderson lattice model exhibits a Kondo breakdown quantum critical point (KB-QCP) where the hybridization goes to zero at zero temper- ature. At this fixed point, the f-electrons experience as well a selective Mott transition separating a local-moment phase from a Kondo-screened phase. The presence of a multi-scale QCP in the An- derson lattice in the absence of magnetism is discussed in the context of heavy fermion compounds. This study is the first evidence for a selective Mott transition in the Anderson lattice.
A bilayer system comprising a Kondo insulator coupled to a simple metal (KI-M) is considered. Employing the framework of dynamical mean field theory, the model system is shown to exhibit a surface of quantum critical points (QCPs), that separates a Kondo screened, Fermi liquid phase from a local moment, Mott insulating phase. The quantum critical nature of these Mott transitions is characterized by the vanishing of (a) the coherence scale on the Fermi liquid side, and (b) the Mott gap on the MI side. In contrast to the usual `large to small' Fermi surface (FS) QCPs in heavy fermion systems, th…
We consider a heterostructure of a metal and a paramagnetic Mott insulator using an adaptation of dynamical mean field theory to describe inhomogeneous systems. The metal can penetrate into the insulator via the Kondo effect. We investigate the scaling properties of the metal-insulator interface close to the critical point of the Mott insulator. At criticality, the quasiparticle weight decays as 1/x^2 with distance x from the metal within our mean field theory. Our numerical results (using the numerical renormalization group as an impurity solver) show that the prefactor of this power law is e…
In the field of condensed matter, the quest to obtain an experimental realization of a Kondo lattice has generated a tremendous effort of the community, from both standpoints of experiments and theory. The pursuit of obtaining independent magnetic moments, via charge localization through Coulomb interactions, is paramount for applications in nanotechnology. In particular, systems with simultaneous charge and spin degrees of freedom can manifest both Kondo spin quenching and Mott-Hubbard charge localization. A unified experimental framework illuminating the pathway between the two phenomena is …
Mott transition plays a key role in strongly correlated physics but its nature is not yet fully understood. Motivated by recent development of Schwinger boson approach for the Kondo lattice, we propose in this work a novel slave fermion algorithm to study the Mott transition. Upon local approximation, our method yields a phase diagram with a zero-temperature continuous (Mott) metal-insulator transition at finite Coulomb interaction $U$ for the half-filled one-band Hubbard model on a square lattice, and the resistivity exhibits a critical scaling around the quantum Widom line. We argue that the…
The heavy fermion state with Kondo-hybridization (KH), usually manifested in f-electron systems with lanthanide or actinide elements, was recently discovered in several 3d transition metal compounds without f-electrons. However, KH has not yet been observed in 4d/5d transition metal compounds, since more extended 4d/5d orbitals do not usually form flat bands that supply localized electrons appropriate for Kondo pairing. Here, we report a doping- and temperature-dependent angle-resolved photoemission study on 4d Ca2-xSrxRuO4, which shows the signature of KH. We observed a spectral weight transf…
The variational local moment approach (VLMA) solution of the single impurity Anderson model is presented. It generalizes the local moment approach of Logan et al. by invoking the variational principle to determine the lengths of local moments and orbital occupancies. We show that VLMA is a comprehensive, conserving and thermodynamically consistent approximation and treats both Fermi and non-Fermi liquid regimes as well as local moment phases on equal footing. We tested VLMA on selected problems. We solved the single- and multi-orbital impurity Anderson model in various regions of parameters, w…
We perform a combined experimental-theoretical study of the Fe-oxychalcogenides (FeO$\emph{Ch}$) series La$_{2}$O$_{2}$Fe$_{2}$O\emph{M}$_{2}$ (\emph{M}=S, Se), which is the latest among the Fe-based materials with the potential \ to show unconventional high-T$_{c}$ superconductivity (HTSC). A combination of incoherent Hubbard features in X-ray absorption (XAS) and resonant inelastic X-ray scattering (RIXS) spectra, as well as resitivity data, reveal that the parent FeO$\emph{Ch}$ are correlation-driven insulators. To uncover microscopics underlying these findings, we perform local density app…
Moiré super-potentials in two-dimensional materials allow unprecedented control of the ratio between kinetic and interaction energy. By this, they pave the way to study a wide variety of strongly correlated physics under a new light. In particular, the transition metal dichalcogenides (TMDs) are promising candidate "quantum simulators" of the Hubbard model on a triangular lattice. Indeed, Mott and generalized Wigner crystals have been observed in such devices. Here we theoretically propose to extend this model into the multi-orbital regime by focusing on electron doped systems at filling highe…
Generalized Cutler-Mott relation in a two-site charge Kondo simulator
Institute of Physics, Vietnam Academy of Science and Technology（越南科学技术院物理研究所）；The Abdus Salam International Centre for Theoretical Physics（阿卜杜斯·萨拉姆国际理论物理中心）
We give a brief review of the Mott-Kondo scenario and its consequence in the recently-discovered infinite-layer nickelate superconductors. We argue that the parent state is a self-doped Mott insulator and propose an effective $t$-$J$-$K$ model to account for its low-energy properties. At small doping, the model describes a low carrier density Kondo system with incoherent Kondo scattering at finite temperatures, in good agreement with experimental observation of the logarithmic temperature dependence of electric resistivity. Upon increasing Sr doping, the model predicts a breakdown of the Kondo…
The strong coupling half-filled Kondo lattice model is an important example of a strongly interacting dense Fermi system for which conventional Fermi gas analysis has thus far failed. We remedy this by deriving an exact transformation that maps the model to a dilute gas of weakly interacting electron and hole quasiparticles that can then be analyzed by conventional dilute Fermi gas methods. The quasiparticle vacuum is a singlet Mott insulator for which the quasiparticle dynamics are simple. Since the transformation is exact, the electron spectral weight sum rules are obeyed exactly. Subtleties…
We derive, by means of an extended Gutzwiller wavefunction and within the Gutzwiller approximation, the phase diagram of the Kondo lattice model. We find that generically, namely in the absence of nesting, the model displays an $f$-electron Mott localization accompanied by a discontinuous change of the conduction electron Fermi surface as well as by magnetism. When the non interacting Fermi surface is close to nesting, the Mott localization disentangles from the onset of magnetism. First the paramagnetic heavy fermion metal turns continuously into an itinerant magnet - the Fermi surface evolve…
The half-filled ground state of the Hubbard model in one dimension is studied by Kondo-lattice theory. Because of the Kondo effect, any insulating ground state with a complete gap open is unstable in the presence of an infinitesimal perturbation. This fact casts doubt on the claim by E. H. Lieb and F. Y. Wu, Phys. Rev. Lett. 20, 1445 (1968) that the half-filled ground state is the Mott insulator. Though the claim is based on a rigorous result given by the Bethe-ansatz solution, the rigorous result is simply a necessary condition for the ground state being an insulator.
Mott-Derived Local Moments and Kondo Hybridization in a d-electron Kagome lattice
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所凝聚态物理国家实验室）；University of Chinese Academy of Sciences（中国科学院大学）；State Key Laboratory of Low Dimensional Quantum Physics, Department of Physics, Tsinghua University（清华大学物理系低维量子物理国家重点实验室）；National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University（南京大学固体微结构物理全国重点实验室及物理学院）；Technical Institute of Physics and Chemistry, Chinese Academy of Sciences（中国科学院化学物理研究所）
A ferromagnetic quantum critical point is thought not to exist in two and three-dimensional metallic systems yet is realized in the Kondo lattice compound YbNi4(P,As)2, possibly due to its one-dimensionality. It is crucial to investigate the dimensionality of the Fermi surface of YbNi4P2 experimentally but common probes such as ARPES and quantum oscillation measurements are lacking. Here, we studied the magnetic field dependence of transport and thermodynamic properties of YbNi4P2. The Kondo effect is continuously suppressed and additionally we identify nine Lifshitz transitions between 0.4 an…
The paramagnetic metallic phase of the Anderson-Hubbard model (AHM) is investigated using a non-perturbative local moment approach within the framework of dynamical mean field theory with a typical medium. Our focus is on the breakdown of the metallic phase near the metal-insulators transition as seen in the single-particle spectra, scattering rates and the associated distribution of Kondo scales. We demonstrate the emergence of a universal, underlying low energy scale, $T_K^{peak}$. This lies close to the peak of the distribution of Kondo scales obtained within the metallic phase of the param…
A theory of Kondo lattices is applied to the crossover between local-moment magnetism and itinerant-electron magnetism in the t-J model on a quasi-two dimensional lattice. The Kondo temperature T_K is defined as a characteristic temperature or energy scale of local quantum spin fluctuations. Magnetism with T_N >> T_K, where T_N is the N\eel temperature, is characterized as local-moment one, while magnetism with T_N << T_K is characterized as itinerant-electron one. The Kondo temperature, which also gives a measure of the strength of the quenching of magnetic moments, is renormalized by the Foc…
The electronic structure at the interface between a topological band insulator and a Mott insulator is studied within layer dynamical mean field theory. To represent the bulk phases of these systems, we use the generalized Bernevig-Hughes-Zhang model that incorporates the Hubbard-like onsite Coulomb energy U in addition to the spin-orbit coupling term that causes band inversion. The topological and Mott insulating phases are realized by appropriately choosing smaller and larger values of U, respectively. As expected, the interface is found to be metallic because of the localized edge state. Wh…
The periodic Anderson model is extended by switching on a Hubbard U for the conduction electrons. We use the Gutzwiller variational method to study the nearly integral valent limit. The lattice Kondo energy contains the U-dependent chemical potential of the Hubbard subsystem in the exponent, and the correlation-induced band narrowing in the prefactor. Both effects tend to suppress the Kondo scale, which can be understood to result from the blocking of hybridization. At half-filling, we find a Brinkman-Rice-type transition from a Kondo insulator to a Mott insulator.
We study how a finite hybridization between a narrow correlated band and a wide conduction band affects the Mott transition. At zero temperature, the hybridization is found to be a relevant perturbation, so that the Mott transition is suppressed by Kondo screening. In contrast, a first-order transition remains at finite temperature, separating a local moment phase and a Kondo- screened phase. The first-order transition line terminates in two critical endpoints. Implications for experiments on f-electron materials such as the Cerium alloy Ce$_{0.8}$La$_{0.1}$Th$_{0.1}$ are discussed.
An analysis of Luttinger's theorem shows that -- contrary to recent claims -- it is not valid for a generic Mott insulator. For a two-orbital Hubbard model with two electrons per site the crossover from a non-magnetic correlated insulating phase (Mott or Kondo insulator) to a band insulator is investigated. Mott insulating phases are characterized by poles of the self-energy and corresponding zeros in the Greens functions defining a ``Luttinger surface'' which is absent for band insulators. Nevertheless, the ground states of such insulators with two electrons per unit cell are adiabatically co…
We propose the parent compound of the newly discovered superconducting nickelate Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ as a self-doped Mott insulator, in which the low-density Nd-$5d$ conduction electrons couple to localized Ni-3$% d_{x^{2}-y^{2}}$ electrons to form Kondo spin singlets at low temperatures. This proposal is motivated with our analyses of the reported resistivity and Hall coefficient data in the normal state, showing logarithmic temperature dependence at low temperatures. In the strong Kondo coupling limit, we derive a generalized $t$-$J$ model with both Kondo singlets and nickel holons m…
Quantum phase transition of fermionic atoms in anisotropic triangular optical lattice was investigated by dynamical cluster approximation combining with continuous time quantum Monte Carlo algorithm. The temperature-interaction phase diagram for different hoping terms and the competition between the anisotropic parameter and interaction is presented. Our results show that the system undergoes Mott transition from Fermi liquid to Mott insulator while the repulsive interaction reach the critical value. The Kondo metal characterized by Kondo peak in the density of states is found in this systems …
The 4f-electron delocalization plays a key role in the low-temperature properties of rare-earth metals and intermetallics, including heavy fermions and mix-valent compounds, and is normally realized by the many-body Kondo coupling between 4f and conduction electrons. Due to the large onsite Coulomb repulsion of 4f electrons, the bandwidth-control Mott-type delocalization, commonly observed in d-electron systems, is difficult in 4f-electron systems and remains elusive in spectroscopic experiments. Here we demonstrate that the bandwidth-control orbital-selective delocalization of 4f electrons ca…
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.
A two-site cluster generalization of the Hubbard model in large dimensions is examined in order to study the role of short-range spin correlations near the metal-insulator transition (MIT). The model is mapped to a two-impurity Kondo-Anderson model in a self-consistently determined bath, making it possible to directly address the competition between the Kondo effect and RKKY interactions in a lattice context. Our results indicate that the RKKY interactions lead to qualitative modifications of the MIT scenario even in the absence of long range antiferromagnetic ordering.
We investigate the Mott transitions in two-orbital Hubbard systems. Applying the dynamical mean field theory and the self-energy functional approach, we discuss the stability of itinerant quasi-particle states in each band. It is shown that separate Mott transitions occur at different Coulomb interaction strengths in general. On the other hand, if some special conditions are satisfied for the interactions, spin and orbital fluctuations are equally enhanced at low temperatures, resulting in a single Mott transition. The phase diagrams are obtained at zero and finite temperatures. We also addres…
The two-orbital degenerate Hubbard model with distinct hopping integrals is studied by combining dynamical mean-field theory with quantum Monte Carlo simulations. The role of orbital fluctuations for the nature of the Mott transition is elucidated by examining the temperature dependence of spin, charge and orbital susceptibilities as well as the one-particle spectral function. We also consider the effect of the hybridization between the two orbitals, which is important particularly close to the Mott transition points. The introduction of the hybridization induces orbital fluctuations, resultin…
We investigate the magnetic field dependent thermopower, thermal conductivity, resistivity and Hall effect in the heavy fermion metal YbRh2Si2. In contrast to reports on thermodynamic measurements, we find in total three transitions at high fields, rather than a single one at 10 T. Using the Mott formula together with renormalized band calculations, we identify Lifshitz transitions as their origin. The predictions of the calculations show that all experimental results rely on an interplay of a smooth suppression of the Kondo effect and the spin splitting of the flat hybridized bands.
We calculate the spectra and spin susceptibilities of a Hubbard model with two bands having different bandwidths but the same on-site interaction, with parameters close to the orbital-selective Mott transition, using dynamical mean-field theory. If the Hund's rule coupling is sufficiently strong, one common energy scale emerges which characterizes both the location of kinks in the self-energy and extrema of the diagonal spin susceptibilities. A physical explanation of this energy scale is derived from a Kondo-type model. We infer that for multi-band systems local spin dynamics rather than spec…
We obtain the rich phase diagrams in the Hubbard model on the triangular Kagomé lattice as a function of interaction, temperature and asymmetry, by combining the cellular dynamical mean-field theory with the continuous time quantum Monte Carlo method. The phase diagrams show the asymmetry separates the critical points in Mott transition of two sublattices on the triangular Kagomé lattice and produces two novel phases called plaquette insulator with an obvious gap and a gapless Kondo metal. When the Coulomb interaction is stronger than the critical value Uc, a short range paramagnetic insulatin…
We present an extensive numerical study of a new type of frustrated itinerant magnetism on the pyrochlore lattice. In this theory, the pyrochlore magnet can be viewed as a cross-linking network of Kondo or double-exchange chains. Contrary to models based on Mott insulators, this itinerant magnetism approach provides a natural explanation for several spin and orbital superstructures observed on the pyrochlore lattice. Through extensive Monte Carlo simulations, we obtain the phase diagrams at two representative electron filling fractions $n = 1/2$ and 2/3. In particular, we show that an intrigui…
We study analytically the Mott transition of the N-orbital Hubbard model using dynamical mean-field theory and a low-energy projection onto an effective Kondo model. It is demonstrated that the critical interaction at which the insulator appears (Uc1) and the one at which the metal becomes unstable (Uc2) have different dependence on the number of orbitals as the latter becomes large: Uc1 ~ \sqrt{N} while Uc2 ~ N. An exact analytical determination of the critical coupling Uc2/N is obtained in the large-N limit. The metallic solution close to this critical coupling has many similarities at low-e…
The Hubbard model in the strong-coupling regime is mainly studied by Kondo-lattice theory or 1/d expansion theory, with d the spatial dimensionality. In two dimensions and higher, the ground state within the Hilbert subspace with no order parameter is a normal Fermi liquid except for n=1 and U/W=+infinity, with n the electron density per unit cell, U the on-site repulsion, and W the bandwidth; the cooperation between the Kondo effect, which favors a local singlet on each unit cell, and a resonating-valence-bond effect, which favors a local singlet on each pair of nearest-neighbor unit cells, s…
We study formation of local magnetic moments in strongly correlated Hubbard model within dynamical mean field theory and associate peculiarities of temperature dependence of local charge $χ_c$ and spin $χ_s$ susceptibilities with different stages of local moment formation. Local maximum of temperature dependence of the charge susceptibility $χ_c$ is associated with beginning of local magnetic moments formation, while the minimum of the susceptibility $χ_c$ and double occupation, as well as low temperature boundary of the plateau of effective local magnetic moment $μ_{\rm eff}^2=Tχ_s$ temperatu…
By applying dynamical mean-field theory in combination with exact diagonalization at zero temperature to a half-filled Hubbard model with two orbitals having distinct noninteracting densities of states, we show that an orbital selective Mott transition (OSMT) will take place even without crystal field splitting, differences in bandwidth and orbital degeneracy. We find that formation of local spin triplet states followed by a two-stage breakdown of the Kondo effect, rather than decoupling of charge degrees of freedom among different orbitals, is the underlying physics for the OSMT. The relevanc…
The mass-imbalanced Hubbard model represents a continuous evolution from the Hubbard to the Falicov-Kimball model. We employ dynamical mean field theory and study the paramagnetic metal-insulator transition, which has a very different nature for the two limiting models. Our results indicate that the metal-insulator transition rather resembles that of the Hubbard model as soon as a tiny hopping between the more localized fermions is switched on. At low temperatures we observe a first-order metal-insulator transition and a three peak structure. The width of the central peak is the same for the m…
The thermopower of a Kondo-correlated gate-defined quantum dot is studied using a current heating technique. In the presence of spin correlations the thermopower shows a clear deviation from the semiclassical Mott relation between thermopower and conductivity. The strong thermopower signal indicates a significant asymmetry in the spectral density of states of the Kondo resonance with respect to the Fermi energies of the reservoirs. The observed behavior can be explained within the framework of an Anderson-impurity model. Keywords: Thermoelectric and thermomagnetic effects, Coulomb blockade, si…
A nearly free electron metal and a Mott insulating state can be thought of as opposite ends of possibilities for the motion of electrons in a solid. In the magnetic oxide metal PdCrO$_{2}$, these two coexist as alternating layers. Using angle resolved photoemission, we surprisingly find sharp band-like features in the one-electron removal spectral function of the correlated subsystem. We show that these arise because a hole created in the Mott layer moves to and propagates in the metallic layer while retaining memory of the Mott layer's magnetism. This picture is quantitatively supported by a …
The paramagnetic phase of the one-band Hubbard model is studied at zero-temperature, within the framework of dynamical mean-field theory, and for general particle-hole asymmetry where a doping-induced Mott transition occurs. Our primary focus is the Mott insulator (MI) phase, and our main aim to establish what can be shown exactly about it. To handle the locally doubly-degenerate MI requires two distinct self-energies, which reflect the broken symmetry nature of the phase and together determine the standard single self-energy. Exact results are obtained for the local charge, local magnetic mom…
The half-filled ground state of the Hubbard model on the hypercubic lattice in D dimensions is studied by the Kondo-lattice theory, which is none other than the 1/D expansion theory, but within the constrained Hilbert subspace where no symmetry is allowed to be broken. A gap can open in the single-particle excitation spectrum if and only if the residual entropy or entropy at T=+0 K is nonzero. The Mott insulator with no symmetry broken, if it is possible, is characterized by nonzero residual entropy or nonzero entropy at T=+0 K. This conclusion is consistent with Brinkman and Rice's theory and…
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…
Starting with an extended version of the Anderson lattice where the f-electrons are allowed a weak dispersion, we examine the possibility of a Mott localization of the f-electrons, for a finite value of the hybridization $V$. We study the fluctuations at the quantum critical point (QCP) where the f-electrons localize. We find they are in the same universality class as for the Kondo breakdown QCP, with the following notable features. The quantum critical regime sees the appearance of an additional energy scale separating two universality classes. In the low energy regime, the fluctuations are d…
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…
