The two-band Hubbard model is used to analyze a possibility of a non-uniform charge distribution in a strongly correlated electron system with two types of charge carriers. It is demonstrated that in the limit of strong on-site Coulomb repulsion, such a system has a tendency to phase separation into the regions with different charge densities even in the absence of magnetic or any other ordering. This tendency is especially pronounced if the ratio of the bandwidths is large enough. The characteristic size of inhomogeneities is estimated accounting for the surface energy and the electrostatic energy related to the charge imbalance.
We present a Gutzwiller von Neumann dynamics (GvND) method for simulating equilibrium and nonequilibrium phenomena in strongly correlated electron systems. Our approach is a real-space formulation of the time-dependent Gutzwiller approximation method. Applying the GvND method to simulate interaction quenches in the Peierls-Hubbard model, we demonstrate the amplification of initial inhomogeneities, which in turn results in the collapse of quench-induced synchronized oscillation. Moreover, we find a dynamical phase transition separating two quasi-stationary regimes with rather distinct spatial d…
The spinless Falicov-Kimball model on the simple cubic lattice is analyzed in the Hubbard-I and dynamical mean field (DMFT) approximations. The Matsubara and real frequency itinerant electron Green's functions, the evolution of the system with doping, and the range of phase separation are found in two approximations. At large values of the on-site Coulomb repulsion both approximations give similar results. The phase separation can be also favorable for a more general model, where heavy electrons have a finite bandwidth. This indicates that the phase separation phenomenon is an inherent feature…
The effect of electron-lattice interaction is studied for a strongly correlated electron system described by the two-band Hubbard model. A two-fold effect of electron-lattice interaction is taken into account: in non-diagonal terms, it changes the effective bandwidth, whereas in diagonal terms, it shifts the positions of the bands and the chemical potential. It is shown that this interaction significantly affects the doping range corresponding to the electronic phase separation and can even lead to a jump-like transition between states with different values of strains.
We relate the phase separation observed in many crystals with pronounced electron correlations to the regions of negative electron compressibility. They were found in several models describing strong electron correlations. At low temperatures, these regions arise near chemical potentials corresponding to the change of the ground state in the site Hamiltonian. The negative electron compressibility leads to the separation of the system into electron-rich and electron-poor domains. The energy released in the course of this separation is absorbed by phonons. Another role of phonons is to give a de…
In this paper, we found a new type of insulator - composite spin liquid which can be regarded as a short range B-type topological spin-density-wave. Composite spin liquid is topological ordered state beyond the classification of traditional spin liquid states. The elementary excitations are the "composite electrons" with both spin degree of freedom and charge degree of freedom, together with topological spin texture. This topological state supports chiral edge mode but no topological degeneracy.
We examine the effects of electron inhomogeneity on IR optical conductivity of cuprates. Nanoscopic electron inhomogeneity is believed to be inherent property of doped cuprates throughout the phase diagram beginning from electron-hole droplets in insulating parent system and ending by a topological phase separation in electron-hole bose liquid (EHBL) phase. A simple model of metal-insulator composite and effective medium theory has been used to describe the static phase separation effects. The low-frequency dynamics of topological EHBL phase in a random potential in underdoped regime has been …
It is shown that strongly correlated electrons on frustrated lattices like pyrochlore, checkerboard or kagome lattice can lead to the appearance of closed and open strings. They are resulting from nonlocal subsidiary conditions which propagating strongly correlated electrons require. The dynamics of the strings is discussed and a number of their properties are pointed out. Some of them are reminiscent of particle physics.
Previous theoretical investigations of colossal magnetoresistance (CMR) materials explain this effect using a ``clustered'' state with preformed ferromagnetic islands that rapidly align their moments with increasing external magnetic fields. While qualitatively successful, explicit calculations indicate drastically different typical resistivity values in two- and three-dimensional lattices, contrary to experimental observations. This conceptual bottleneck in the phase-separated CMR scenario is resolved here considering the cooperative nature of the Mn-oxide lattice distortions. This induces po…
The studies of high-quality single-domain crystals of YbB12 were carried out by the precise x-ray diffraction technique in combination with the low temperature polarized THz - infrared spectroscopy and accurate magnetotransport measurements. It has been shown for the first time that this archetypal strongly correlated system with a metal-insulator transition to a mysterious dielectric ground state with a metal Fermi surface (Science 362, 65-69 (2018) and ibid 362, 32-33 (2018)) is actually a heterogeneous compound in the regime of electronic phase separation. Changes in the configuration of th…
This is a short review of recent theoretical work on magnetization plateaux in one-dimensional strongly correlated electron systems, i.e. in spin chains, spin ladders or more generally, Hubbard chains and ladders.
Thermodynamic measurements reveal that the Pauli spin susceptibility of strongly correlated two-dimensional electrons in silicon grows critically at low electron densities - behavior that is characteristic of the existence of a phase transition.
We reexamine the Yang-Yang-Takahashi method of deriving the thermodynamic Bethe ansatz equations which describe strongly correlated electron systems of fundamental physical interest, such as the Hubbard, $s-d$ exchange (Kondo) and Anderson models. It is shown that these equations contain some additional terms which may play an important role in the physics of the systems.
We investigate the properties of the frustrated underdoped Hubbard model on the square lattice using two complementary approaches, the dynamical cluster extension of dynamical mean field theory, and variational Monte Carlo simulations of Gutzwiller-Jastrow wavefunctions with backflow corrections. We compare and discuss data for the energy and the double occupancies, as obtained from both approaches. At small dopings, we observe a rapid crossover from a weakly correlated metal at low interaction strength U to a non-Fermi liquid correlated state with strong local spin correlations. Furthermore, …
This thesis describes the development of the density matrix embedding theory (DMET) and its applications to lattice strongly correlated electron problems, including a review of DMET theory and algorithms (Ch 2), investigation of finite size scaling (Ch 3), Applications to high-temperature superconductivity (Ch 4-6), a framework for finite-temperature DMET (Ch 7).
From calculations of the high temperature series for the free energy of the two-dimensional t-J model we construct series for ratios of the free energy per hole. The ratios can be extrapolated very accurately to low temperatures and used to investigate phase separation. Our results confirm that phase separation occurs only for J/t greater than 1.2. Also, the phase transition into the phase separated state has Tc of approximately 0.25J for large J/t.
The dynamical-mean-field method is applied to investigate the transport properties of heterostructures consisting of a strongly-correlated electron system connected to metallic leads. The spectral function inside the correlated region is sensitive to the change of the interaction strength and bias voltage. Because of this sensitivity, current vs voltage characteristics of such heterostructures are rather nonlinear regardless of the detail of the potential profile inside the correlated region. The electronic properties such as the double occupancy are also changed by the bias voltage.
We argue that the Anderson and Kondo models turn out to be irrelevant for the description of some strongly correlated electron systems and we suggest the mechanism for the formation of many-body states (heavy fermions) being an alternative to the Kondo one. This mechanism involves the quantum tunneling of a heavy particle between the states in the double-well potential.
The effects associated with exciton Bose condensate formation in strongly correlated spin crossover systems are considered within the effective Hamiltonian obtained from the two-orbital Hubbard-Kanamori model. The collective excitations spectrum at various points of the temperature-crystal field phase diagram is calculated. The role of the electron-phonon interaction is discussed. The exciton and magnetic order photoenhancement (induction) in strongly correlated spin crossover systems a new mechanism based on the cooperative effect of electron-phonon and interatomic exchange interactions and t…
This work explores a simple approximation to describe isolated impurity scattering in a strongly correlated metal. The approximation combines conventional one electron scattering theory and the Dynamic Mean Field Theory to describe strong correlations in the host. It becomes exact in several limits, including those of very weak and very strong impurity potentials. Original electronic structure appears at the impurity site when the impurity potential strength is moderate and the host is close to the Mott transition. Our results may provide useful guidance for interpretation of scanning tunnelin…
Strongly correlated Fermi systems are among the most intriguing and fundamental systems in physics. We show that the herbertsmithite ZnCu3(OH)6Cl2 can be viewed as a new type of strongly correlated electrical insulator that possesses properties of heavy-fermion metals with one exception: it resists the flow of electric charge. We demonstrate that herbertsmithite's low temperature properties are defined by a strongly correlated quantum spin liquid made with such hypothetic particles as fermionic spinons which carry spin 1/2 and no charge. Our calculations of its thermodynamic and relaxation pro…
In this work, we present an analytical theory of strongly correlated Wigner crystals (WCs) in the lowest Landau level (LLL) by constructing an approximate, but accurate effective two-body interaction for composite fermions (CFs) participating in the WCs. This requires integrating out the degrees of freedom of all surrounding CFs, which we accomplish analytically by approximating their wave functions by delta functions. This method produces energies of various strongly correlated WCs that are in excellent agreement with those obtained from the Monte Carlo simulation of the full CF crystal wave …
The low-temperature kinetics of the strongly correlated electron liquid inhabiting a solid is analyzed. It is demonstrated that a softly damped branch of transverse zero sound emerges when several bands cross the Fermi surface simultaneously near a quantum critical point at which the density of states diverges. Suppression of the damping of this branch occurs due to a mechanism analogous to that affecting the phonon mode in solids at room temperature, giving rise to a classical regime of transport at extremely low temperatures in the strongly correlated Fermi system.
We show how strongly correlated materials could be described within the framework of an excitonic insulator formalism, and delineate the relationship between inter- and intra-band ordering phenomena. Our microscopic model of excitons clarifies the fundamental role of Van-Hove-singularity-nesting in driving both inter- and intra-band ordering transitions, and uncovers an interesting connection with resonating-valence-bond physics.
We study a model of strongly correlated spinless fermions on a kagome lattice at 1/3 filling, with interactions described by an extended Hubbard Hamiltonian. An effective Hamiltonian in the desired strong correlation regime is derived, from which the spectral functions are calculated by means of exact diagonalization techniques. We present our numerical results with a view to discussion of possible signatures of confinement/deconfinement of fractional charges.
The recent experimental evidence in favor of stripe ordering in ferropnictides [Chuang {\it et. al.}, Science {\bf 327},181 (2010)] points to the new field of study for strongly correlated systems. Here we argue that due to the smallness of the chemical potential in ferropnictides the effects of stripe modulation are likely to be much more pronounced than in the cuprates leading to stronger degree of one-dimensionality. This may allow to treat the striped pnictides as an array of coupled one-dimensional spin liquids making them a good testing ground for various ideas concerning strongly correl…
Various charge pairings in strongly correlated electron systems are interpreted as quantum entanglement of a composite system. Particles in the intermediate phase have a tendency to form the coherent superposition state of the localized state and the itinerant state, which induces the entanglement of both particles in the bipartite subsystems for increasing the entropy of the system. The correction to the entropic Coulomb force becomes an immediate cause of charge pairing.
The success of tensor network approaches in simulating strongly correlated quantum systems crucially depends on whether the many body states that are relevant for the problem can be encoded in a local tensor network. Despite numerous efforts, strongly correlated projective states, fractional quantum Hall states in particular, have not yet found a local tensor network representation. Here we show that one can encode the calculation of averages of local operators in a Grassmann tensor network which is local. Our construction is explicit, and allows the use of physically motivated trial wavefunct…
Experimental results on the metal-insulator transition and related phenomena in strongly interacting two-dimensional electron systems are discussed. Special attention is given to recent results for the strongly enhanced spin susceptibility, effective mass, and thermopower in low-disordered silicon MOSFETs.
We study the conductance through Aharonov-Bohm finite ladder rings with strongly interacting electrons, modelled by the prototypical t-J model. For a wide range of parameters we observe characteristic dips in the conductance as a function of magnetic flux, predicted so far only in chains which are a signature of spin and charge separation. These results open the possibility of observing this peculiar many-body phenomenon in anisotropic ladder systems and in real nanoscopic devices.
Strongly correlated electron systems require the development of new theoretical schemes in order to describe their unusual and unexpected properties. The usual perturbation schemes are inadequate and new concepts must be introduced. In our scheme of calculations, the Composite Operator Method, is possible to recover, through a self-consistent calculation, a series of fundamental symmetries by choosing a suitable Hilbert space.
An exact formula for the temperature dependent Hall number of metals is derived. It is valid for non-relativistic fermions or bosons, with arbitrary potential and interaction. This DC transport coefficient is proven to (remarkably) depend solely on equilibrium susceptibilities, which are more amenable to numerical algorithms than the conductivity. An application to strongly correlated phases is demonstrated by calculating the Hall sign in the vicinity of Mott phases of lattice bosons.
The purpose of this paper is (i) to present a generic and fully functional implementation of the density-matrix renormalization group (DMRG) algorithm, and (ii) to describe how to write additional strongly-correlated electron models and geometries by using templated classes. Besides considering general models and geometries, the code implements Hamiltonian symmetries in a generic way and parallelization over symmetry-related matrix blocks.
The formalism for exactly calculating the retarded and advanced Green's functions of strongly correlated lattice models in a uniform electric field is derived within dynamical mean-field theory. To illustrate the method, we solve for the nonequilibrium density of states of the Hubbard model in both the metallic and Mott insulating phases at half-filling (with an arbitrary strength electric field) by employing the numerical renormalization group as the impurity solver. This general approach can be applied to any strongly correlated lattice model in the limit of large dimensions.
We adapt the Coupled Cluster Method to solid state strongly correlated lattice Hamiltonians extending the Coupled Cluster linear response method to the calculation of electronic spectra and obtaining the space-time Fourier transforms of generic Green's functions. We apply our method to the $MnO_2$ plane with orbital and magnetic ordering, to interpret electron energy loss experimental data, and to the Hubbard model, where we get insight into a possible pairing mechanism.
The unique property of Coulomb interaction in strict one-dimensional (1D) system is revealed that the Coulomb repulsion energy of paired electrons is divergent. As consequences, electrons in 1D system can not doubly occupy the same spatial orbital and are completely localized. Numerical simulation by time dependent Hartree-Fock approximation shows this distinct property. The '0.7 anomaly' in 1D electron gas is fully explained by the property. Its possible contribution to strongly correlated systems is discussed.
We propose a new approach to the self-consistency equation, which arises in the problem of the motion of a hole in a quantum antiferromagnet, appropriate to the case of small exchange energy $J$. The functional equation for the Green function is transformed into a differential equation; its solutions are analyzed and compared to the existing numerical calculations. This method allows one to study the limit of $J\to 0$. Application to other strongly correlated electron systems is discussed.
We study the effect of spatial inhomogeneity on the physics of a strongly correlated electron system exhibiting a metallic phase and a Mott insulating phase, represented by the simple Hubbard model. In three dimensions, we consider various geometries, including vacuum-metal-vacuum, a junction between a weakly and a strongly correlated metal, and finally the double junctions metal-Mott insulator-metal and metal-strongly correlated metal- metal. We applied to these problems the self-consistent Gutzwiller technique recently developed in our group, whose approximate nature is compensated by an ext…
The reason for the appearance of two distinct bands in the photoemission of the single CuO$_2$ plane Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+δ}$ near the Fermi level is discussed on the basis of the self-consistent solution of the two-dimensional t-J model.
We show that the Krylov-Bogoliubov-Mitropolsky averaging in the canonical formulation can be used as a method for constructing effective Hamiltonians in the theory of strongly correlated electron systems. As an example, we consider the transition from the Hamiltonians of the Hubbard and Anderson models to the respective Hamiltonians of the t-J and Kondo models. This is a very general method, has several advantages over other methods, and can be used to solve a wide range of problems in the physics of correlated systems.
By paying attention to the hole-doped two-dimensional systems of antiferromagnetically (strongly) correlated electrons, we discuss the cause of hole-rich phase formation in association with phase separation. We show that the phase diagram obtained from the Maxwell's construction in the plane of temperature vs. hole density is consistent with one derived from the evaluation of hole-rich and electron-rich phases in real space. We observe that the formation of a hole-rich phase is attributed to the aggregation of hole pairs induced by spin singlet pairs present in the pseudogap phase and that a d…
We present a new method to calculate optical properties of strongly correlated systems. It is based on dynamical mean field theory and it uses as an input realistic electronic structure obtained by local density functional calculations. Numerically tractable equations for optical conductivity, which show a correct non-interacting limit, are derived. Illustration of the method is given by computing optical properties of the doped Mott insulator La_{1-x}Sr_xTiO_3.
In this paper, the Bosonic projected variational method is proposed to study the strongly correlated $^{87}{\rm Rb}$ atoms in optical lattice. A global phase diagram is obtained by this method. There exist two characteristic lattice depths $V$ for $^{87}{\rm Rb}$ atoms in optical lattice : one is $% V=9.5E_r$ to label the maximum height of the 'zero-momentum' peak of condensation, the other is the quantum critical point for the superfluid-insulator (SI) transition at $V=12.3E_r$. As a result of strongly correlated effect for lattice Bosons, the suppressed superfluid state is predicted near the…
Complexity in strongly correlated electron systems is analyzed by considering decoherence process between the localized state, |L> and the itinerant state, |I>. The coherent superposition state of a|I> + b|L> decoheres to the pointer states in the proximity of both extremes of the correlation where the symmetry-breaking ground states of the charge pairing emerge. For maximizing the entropy of the system, the superconducting pairing and the spin density wave coexist within the uncertainty principle, which invokes the metastable states as like pseudogap phase and electronic inhomogenity.
High transition temperature superconductors in cuprates exhibit the charge-density-wave fluctuations and the ferromagnetic time-reversal-symmetry-breaking fluctuation in the polar Kerr rotation experiments. We demonstrate that they share the same root of origin, and the underlying mechanism also leads to the pseudogap formation. The pseudogap formation, the charge-density-wave fluctuation, and the time-reversal-symmetry-breaking fluctuation are the consequent phenomena of the correlation. They are the basic notions in strongly correlated electron systems.
The renormalization of the Wiedemann-Franz (WF) ratio in strongly correlated electron systems is analyzed within the Landau quasiparticle picture. We demonstrate that the WF law is violated: (i) at the quantum critical point, where the effective mass diverges, and (ii) beyond a point of fermion condensation, where the single-particle spectrum $ε(p)$ becomes flat. Results of the analysis are compared with available experimental data.
The self-energy-functional approach (SFA) is discussed in the context of different variational principles for strongly correlated electron systems. Formal analogies between static and dynamical variational approaches, different types of approximation strategies and the relations to density-functional and dynamical mean-field theory are emphasized. The discussion elucidates the strengths of the SFA in the construction of new non-perturbative approximations but also the limitations of the approach and thereby opens up future perspectives.
A new scheme of the iterative perturbation theory is proposed for the strongly correlated electron systems with orbital degeneracy. The method is based on the modified self-energy of Yeyati, et al. which interpolates between the weak and the strong correlation limits, but a much simpler scheme is proposed which is useful in the case of the strong correlation with orbital degeneracy. It will be also useful in the study of the electronic structures combined with the band calculations.
An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The strongly-correlated subspace is identified from the occupation number band structure as opposed to a mean-field energy band structure. The self-consistent solution of the many-body model Hamiltonian and a generalized Kohn-Sham equation exactly incorporates momentum-dependent and crystal-symmetric correlations into electronic structure calculations in a way that…
Strongly correlated systems of fermions have a number of exciting collective properties. Among them, the creation of a lattice that is occupied by doublons, i.e. two quantum particles with opposite spins, offers interesting electronic properties. In the past a variety of methods have been proposed to control doublon formation, both, spatially and temporally. Here, a novel mechanism is proposed and verified by exact diagonalization and nonequilibrium Green functions simulations---fermionic doublon creation by the impact of energetic ions. We report the formation of a nonequilibrium steady state…
We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a time-dependent trial wave function with many variational parameters, which is suitable for nonequilibrium strongly correlated electron systems. As the trial state, we adopt the generalized pair-product wave function with correlation factors and quantum-number projections. This trial wave function has been proven to accurately describe ground states of strongly correlat…
We study a non-Hermitian generalization of strongly correlated quantum systems in which the transfer energy of electrons is asymmetric. It is known that a non-Hermitian critical point is equal to the inverse localization length of a Hermitian non-interacting random electron system. We here conjecture that we can obtain in the same way the correlation length of a Hermitian interacting non-random system. We confirm the conjecture using exact solutions and numerical finite-size data of the Hubbard model and the antiferromagnetic XXZ model in one dimension.
The present work analyzes the importance of the different components of the environment effects on the local spectroscopy of extended strongly correlated systems. It has been found that the usual formal charge definition of the charge transfer and Madelung potential are far too crude for an accurate determination of the local excitation energies in embedded fragment calculations. A criterion for the validation of the embedding against the infinite system density of states has been proposed.
We propose a dynamical mean field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean field theory, which enables one to treat strong interaction effects. It avoids the conceptual problems inherent to conventional ``LDA+DMFT'', such as Hubbard interaction parameters and double counting terms. We apply a simplified version of the approach to the electronic structure of nickel and find encouraging results.
A many-body wave function can be factorized in Fock space into a marginal amplitude describing a set of strongly correlated orbitals and a conditional amplitude for the remaining weakly correlated part. The marginal amplitude is the solution of a Schrödinger equation with an effective Hamiltonian that can be viewed as embedding the marginal wave function in the environment of weakly correlated electrons. Here, the complementary equation for the conditional amplitude is replaced by a generalized Kohn-Sham equation, for which an orbital-dependent functional approximation is shown to reproduce th…
This is a reply to A. A. Katanin's comment [A. A. Katanin, Nat. Commun. 12, 1433 (2021); arXiv:2103.02966] on our paper [X. Deng et al., Nat. Commun. 10, 2721 (2019); arXiv:1708.05752].
We investigated kinetic properties of correlated pairing states in strongly correlated phase of the Hubbard model in two space dimensions. We employ an optimization variational Monte Carlo method, where we use the improved wave function $ψ_λ= e^{-λK}ψ_G$ for the Gutzwiller wave function $ψ_G$ with $K$ being the kinetic part of the Hamiltonian. The Gutzwiller-BCS state is stabilized as the potential energy driven superconductivity because the Coulomb interaction energy is lowered while the kinetic energy increases in this state. In contrast, we show that in the $ψ_λ$-BCS wave function $ψ_{λ-BCS…
We construct an effective topological Landau-Ginzburg theory that describes general SU(2) incompressible quantum liquids of strongly correlated particles in two spatial dimensions. This theory characterizes the fractionalization of quasiparticle quantum numbers and statistics in relation to the topological ground-state symmetries, and generalizes the Chern-Simons, BF and hierarchical effective gauge theories to an arbitrary representation of the SU(2) symmetry group. Our main focus are fractional topological insulators with time-reversal symmetry, which are treated as generalizations of the SU…
