We have completed a numerical investigation of the Anderson-Hubbard model for three-dimensional simple cubic lattices using a real-space self-consistent Hartree-Fock decoupling approximation for the Hubbard interaction. In this formulation we treat the spatial disorder exactly, and therefore we account for effects arising from localization physics. We have examined the model for electronic densities well away 1/2 filling, thereby avoiding the physics of a Mott insulator. Several recent studies have made clear that the combined effects of electronic interactions and spatial disorder can give rise to a suppression of the electronic density of states, and a subsequent metal-insulator transition can occur. We augment such studies by calculating the ac conductivity for such systems. Our numerical results show that weak interactions enhance the density of states at the Fermi level and the low-frequency conductivity, there are no local magnetic moments, and the ac conductivity is Drude-like. However, with a large enough disorder strength and larger interactions the density of states at the Fermi level and the low-frequency conductivity are both suppressed, the conductivity becomes non-Drude-like, and these phenomena are accompanied by the presence of local magnetic moments. The low-frequency conductivity changes from a sigma-sigma_dc omega^{1/2} behaviour in the metallic phase, to a sigma omega^2 behaviour in the nonmetallic regime. Our numerical results show that the formation of magnetic moments is essential to the suppression of the density of states at the Fermi level, and therefore essential to the metal-insulator transition.
We consider the change in electron localization due to the presence of electron-electron repulsion in the \HA model. Taking into account local Mott-Hubbard physics and static screening of the disorder potential, the system is mapped onto an effective single-particle Anderson model, which is studied within the self-consistent theory of electron localization. We find rich nonmonotonic behavior of the localization length $ξ$ in two-dimensional systems, including an interaction-induced exponential enhancement of $ξ$ for small and intermediate disorders although $ξ$ remains finite. In three dimensi…
The Anderson--Hubbard Hamiltonian at half--filling is investigated within dynamical mean--field theory at zero temperature. The local density of states is calculated by taking the geometric and arithmetic mean, respectively. The non--magnetic ground state phase diagrams obtained within the different averaging schemes are compared.
The phase diagram of correlated, disordered electrons is calculated within dynamical mean--field theory using the geometrically averaged (''typical'') local density of states. Correlated metal, Mott insulator and Anderson insulator phases, as well as coexistence and crossover regimes are identified. The Mott and Anderson insulators are found to be continuously connected.
Density of states, dynamic (optical) conductivity and phase diagram of strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT+Σapproximation). Strong correlations are accounted by DMFT, while disorder is taken into account via the appropriate generalization of self-consistent theory of localization. The DMFT effective single impurity problem is solved by numerical renormalization group (NRG) and we consider the three-dimensional system with semi-elliptic density of states. Correlated metal, Mott insu…
Using a combination of numerical and analytical calculations, we study the disorder-induced zero bias anomaly (ZBA) in the density of states of strongly-correlated systems modeled by the two dimensional Anderson-Hubbard model. We find that the ZBA comes from the response of the nonlocal inelastic self-energy to the disorder potential, a result which has implications for theoretical approaches that retain only the local self-energy. Using an approximate analytic form for the self-energy, we derive an expression for the density of states of the two-site Anderson-Hubbard model. Our formalism repr…
To expand the framework available for interpreting experiments on disordered strongly correlated systems, and in particular to explore further the strong-coupling zero-bias anomaly found in the Anderson-Hubbard model, we ask how this anomaly responds to the addition of nonlocal electron-electron interactions. We use exact diagonalization to calculate the single-particle density of states of the extended Anderson-Hubbard model. We find that for weak nonlocal interactions the form of the zero-bias anomaly is qualitatively unchanged. The energy scale of the anomaly continues to be set by an effec…
Non-interacting systems with bounded disorder have been shown to exhibit sharp density of states peaks at the band edge which coincide with an energy range of abruptly suppressed localization. Recent work has shown that these features also occur in the presence of on-site interactions in ensembles of two-site Anderson-Hubbard systems at half filling. Here we demonstrate that this effect in interacting systems persists away from half filling, and moreover that energy regions with suppressed localization continue to appear in ensembles of larger systems despite a loss of sharp features in the de…
We study the suppression of electron localization due to the screening of disorder in a Hubbard-Anderson model. We focus on the change of the electron localization length at the Fermi level within a static picture, where interactions are absorbed into the redefinition of the random on-site energies. Two different approximations are presented, either one yielding a nonmonotonic dependence of the localization length on the interaction strength, with a pronounced maximum at an intermediate interaction strength. In spite of its simplicity, our approach is in good agreement with recent numerical re…
We have obtained the exact ground state wave functions of the Anderson-Hubbard model for different electron fillings on a 4x4 lattice with periodic boundary conditions - for 1/2 filling such ground states have roughly 166 million states. When compared to the uncorrelated ground states (Hubbard interaction set to zero) we have found strong evidence of the very effective screening of the charge homogeneities due to the Hubbard interaction. We have successfully modelled these local charge densities using a non-interacting model with a static screening of the impurity potentials. In addition, we h…
We review recent progress in our theoretical understanding of strongly correlated fermion systems in the presence of disorder. Results were obtained by the application of a powerful nonperturbative approach, the Dynamical Mean-Field Theory (DMFT), to interacting disordered lattice fermions. In particular, we demonstrate that DMFT combined with geometric averaging over disorder can capture Anderson localization and Mott insulating phases on the level of one-particle correlation functions. Results are presented for the ground-state phase diagram of the Anderson-Hubbard model at half filling, bot…
We use the density matrix renormalization group to study the quantum transitions that occur in the half-filled one-dimensional fermionic Hubbard model with onsite potential disorder. We find a transition from the gapped Mott phase with algebraic spin correlations to a gapless spin-disordered phase beyond a critical strength of the disorder $Δ_c \approx U/2$. Both the transitions in the charge and spin sectors are shown to be coincident. We also establish the finite-size corrections to the charge gap and the spin-spin correlation length in the presence of disorder and using a finite-size-scalin…
Several recent exact diagonalization calculations have established that the Anderson-Hubbard model has a disorder-induced zero bias anomaly (ZBA) (also called a disorder-induced pseudogap) in the density of states. In order to understand the physics of the ZBA, we study a simplified problem---an ensemble of two-site molecules with random site energies---for which analytical results are possible. For this ensemble, we examine how the ZBA forms in both the weakly correlated (mean field) and strongly correlated limits. In the weakly correlated case, the ZBA can be understood as the result of leve…
After Anderson's prediction of disorder-induced insulating behavior, extensive work found no singularities in the density of states of localized systems. However, Johri and Bhatt recently uncovered the existence of a non-analyticity in the density of states near the band edge of non-interacting systems with bounded disorder, in an energy range outside that captured by previous work. Moreover, this feature marks the boundary of an energy range in which the localization is sharply suppressed. Given strong current interest in the effect of interactions on disordered systems, we explore here the e…
Density of states, dynamic (optical) conductivity and phase diagram of paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean-field theory (DMFT+Sigma approximation). Strong correlations are accounted by DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular "bare" density of states (DOS). The DMFT effective single impurity problem is solved by numerical renormalization group (NRG)…
We have studied the effects of interactions on persistent currents in half-filled and quarter-filled Hubbard models with weak and intermediate strength disorder. Calculations are performed using a variational Gutzwiller ansatz that describes short range correlations near the Mott transition. We apply an Aharonov-Bohm magnetic flux, which generates a persistent current that can be related to the Thouless conductance. The magnitude of the current depends on both the strength of the screened disorder potential and the strength of electron-electron correlations, and the Anderson localization lengt…
Strongly correlated electrons with box disorder in high-dimensional lattices are investigated. We apply the statistical dynamical mean-field theory, which treats local correlations non-perturbatively. The incorporation of a finite lattice connectivity allows for the detection of disorder-induced localization via the probability distribution function of the local density of states. We obtain a complete paramagnetic ground state phase diagram and find correlation-induced as well as disorder-induced metal-insulator transitions. Our results qualitatively confirm predictions obtained by typical med…
Two very different methods -- exact diagonalization on finite chains and a variational method -- are used to study the possibility of a metal-insulator transition in the symmetric half-filled periodic Anderson-Hubbard model. With this aim we calculate the density of doubly occupied $d$ sites as a function of various parameters. In the absence of on-site Coulomb interaction ($U_f$) between $f$ electrons, the two methods yield similar results. The double occupancy of $d$ levels remains always finite just as in the one-dimensional Hubbard model. Exact diagonalization on finite chains gives the sa…
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 the interplay of disorder and correlation in the one-dimensional hole-doped Hubbard-model with disorder (Anderson-Hubbard model) by using the density-matrix renormalization group method. Concentrating on the doped-hole density profile, we find in a large $U/t$ regime that the clean system exhibits a simple fluid-like behavior whereas finite disorders create locally Mott regions which expand their area with increasing the disorder strength contrary to the ordinary sense. We propose that such an anomalous Mott phase formation assisted by disorder is observable in atomic Fermi gases by s…
We apply the recently developed dual fermion algorithm for disordered interacting systems to the Anderson-Hubbard model. This algorithm is compared with dynamical cluster approximation calculations for a one-dimensional system to establish the quality of the approximation in comparison with an established cluster method. We continue with a three-dimensional (3d) system and look at the antiferromagnetic, Mott and Anderson localization transitions. The dual fermion approach leads to quantitative as well as qualitative improvement of the dynamical mean-field results and it allows one to calculate…
In order to study an interplay of disorder, correlation, and spin imbalance on antiferromagnetism, we systematically explore the ground state of one-dimensional spin-imbalanced Anderson-Hubbard model by using the density-matrix renormalization group method. We find that disorders localize the antiferromagnetic spin density wave induced by imbalanced fermions and the increase of the disorder magnitude shrinks the areas of the localized antiferromagnetized regions. Moreover, the antiferromagnetism finally disappears above a large disorder. These behaviors are observable in atomic Fermi gases loa…
Motivated by experiments on doped transition metal oxides, this paper considers the interplay of interactions, disorder, kinetic energy and temperature in a simple system. An ensemble of two-site Anderson-Hubbard model systems has already been shown to display a zero-bias anomaly which shares features with that found in the two-dimensional Anderson-Hubbard model. Here the temperature dependence of the density of states of this ensemble is examined. In the atomic limit, there is no zero-bias anomaly at zero temperature, but one develops at small nonzero temperatures. With hopping, small tempera…
The importance of taking into account inter-site $f-f$ hybridization in electron structure calculations for Ce metal and cerium heavy fermion compounds was studied. We demonstrate that for heavy-fermion systems such as cerium compound CeCu$_2$Si$_2$ $f-f$ hybridization can be neglected and Anderson model application is well justified. On another hand for cerium metal $f-f$ hybridization is strong enough to provide the contribution to hybridization function comparable to hybridization between $4f$ and itinerant electrons. We argue that in the case of Ce only the most general Hamiltonian combini…
We derive the disorder vs. doping phase diagram of the doped Hubbard model via Dynamical Mean Field Theory combined with Typical Medium Theory, which allows the description of both Mott (correlation driven) and Anderson (disorder driven) metal-insulator transitions. We observe a transition from a metal to an Anderson-Mott insulator for increasing disorder strength at all interactions. In the weak correlation regime and rather small doping, the Anderson-Mott insulator displays properties which are alike to the ones found at half-filling. In particular, this phase is characterized by the presenc…
It has been proposed that the states of fully many-body localized systems can be described in terms of conserved local pseudospins. Due to the multitude of ways to define these, the explicit identification of the optimally local pseudospins in specific systems is non-trivial. Given continuing intense interest in the role of disorder in strongly correlated systems, we consider the disordered Hubbard model. Focusing on a two-site system, we track the evolution of the optimally localized pseudospins as hopping and interactions are varied to move the system away from the trivially localized atomic…
We solve the Periodic Anderson model in the Mott-Hubbard regime, using Dynamical Mean Field Theory. Upon electron doping of the Mott insulator, a metal-insulator transition occurs which is qualitatively similar to that of the single band Hubbard model, namely with a divergent effective mass and a first order character at finite temperatures. Surprisingly, upon hole doping, the metal-insulator transition is not first order and does not show a divergent mass. Thus, the transition scenario of the single band Hubbard model is not generic for the Periodic Anderson model, even in the Mott-Hubbard re…
We investigate, by numerically calculating the charge stiffness, the effects of random diagonal disorder and electron-electron interaction on the nature of the ground state in the 2D Hubbard model through the finite size exact diagonalization technique. By comparing with the corresponding 1D Hubbard model results and by using heuristic arguments we conclude that it is \QTR{it}{unlikely} that there is a 2D metal-insulator quantum phase transition although the effect of interaction in some range of parameters is to substantially enhance the non-interacting charge stiffness.
We study the one-dimensional Anderson-Hubbard model using the density-matrix renormalization group method. The influence of disorder on the Tomonaga-Luttinger liquid behavior is quantitatively discussed. Based on the finite-size scaling analysis of density-density correlation functions, we find the following results: i) the charge exponent is significantly reduced by disorder at low filling and near half filling, ii) the localization length decays as $ξ\sim Δ^{-2}$, where $Δ$ is the disorder strength, independently of the on-site Coulomb interaction as well as band filling, and iii) the locali…
Correlated electrons in a binary alloy $A_{x}B_{1-x}$ are investigated within the Hubbard model and dynamical mean--field theory (DMFT). The random energies $ε_{i}$ have a bimodal probability distribution and an energy separation $Δ$. We solve the DMFT equations by the numerical renormalization group method at zero temperature, and calculate the spectral density as a function of disorder strength $Δ$ and interaction $U$ at different fillings. For filling factors $ν=x$ or $1+x$ the lower or upper alloy subband is half filled and the system becomes a Mott insulator at strong interactions, with a…
The single band Hubbard and the two band Periodic Anderson Hamiltonians have traditionally been applied to rather different physical problems - the Mott transition and itinerant magnetism, and Kondo singlet formation and scattering off localized magnetic states, respectively. In this paper, we compare the magnetic and charge correlations, and spectral functions, of the two systems. We show quantitatively that they exhibit remarkably similar behavior, including a nearly identical topology of the finite temperature phase diagrams at half-filling. We address potential implications of this for the…
The effect of a weak random potential on two-leg Hubbard ladders is investigated. The random potential is shown to induce Anderson localization except for attractive enough interactions, supressing completely d-wave superconductivity. These localization effects remain very strong even for many ladders coupled by Josephson coupling. Both dc and ac conductivities and localization lengths are obtained. Consequences for the superconducting ladder compound Sr$_x$Ca$_{14-x}$Cu$_{24}$O$_{41+δ}$ are discussed.
We show that information on the probability density of local fluctuations can be obtained from a numerical renormalisation group calculation of a reduced density matrix. We apply this approach to the Anderson-Holstein impurity model to calculate the ground state probability density $ρ(x)$ for the displacement $x$ of the local oscillator. From this density we can deduce an effective local potential for the oscillator and compare its form with that obtained from a semiclassical approximation as a function of the coupling strength. The method is extended to infinite dimensional Holstein-Hubbard m…
We obtain exact numerical solutions of the degenerate Hubbard model in the limit of large dimensions (or large lattice connectivity). Successive Mott-Hubbard metal insulator transitions at integer fillings occur at intermediate values of the interaction and low enough temperature in the paramagnetic phase. The results are relevant for transition metal oxides with partially filled narrow degenerate bands.
We employ a recently developed computational many-body technique to study for the first time the half-filled Anderson-Hubbard model at finite temperature and arbitrary correlation ($U$) and disorder ($V$) strengths. Interestingly, the narrow zero temperature metallic range induced by disorder from the Mott insulator expands with increasing temperature in a manner resembling a quantum critical point. Our study of the resistivity temperature scaling $T^α$ for this metal reveals non Fermi liquid characteristics. Moreover, a continuous dependence of $α$ on $U$ and $V$ from linear to nearly quadrat…
The combined effects of strong disorder, strong correlations and hopping in the Anderson-Hubbard model have been shown to produce a zero bias anomaly which has an energy scale proportional to the hopping and minimal dependence on interaction strength, disorder strength and doping. Disorder-induced suppression of the density of states for a purely local interaction is inconsistent with both the Efros-Shklovskii Coulomb gap and the Altshuler-Aronov anomaly, and moreover the energy scale of this anomaly is inconsistent with the standard energy scales of both weak and strong coupling pictures. We …
The variational local moment approach (V-LMA), being a modification of the method due to Logan {\it et al}., is presented here. The existence of local moments is taken from the outset and their values are determined through variational principle by minimizing the corresponding ground state energy. Our variational procedure allows us to treat both fermi- and non-fermi liquid systems with many orbitals as well as insulators without any additional assumptions. It is proved by an explicit construction of the corresponding Ward functional that the V-LMA belongs to the class of conserving approximat…
The variational cluster approach (VCA) based on the self-energy functional theory is applied to the two-dimensional symmetric periodic Anderson model at half filling. We calculate a variety of physical quantities including the staggered moments and single-particle spectra at zero temperature to show that the symmetry breaking due to antiferromagnetic ordering occurs in the strong coupling region, whereas in the weak coupling region, the Kondo insulating state without symmetry breaking is realized. The critical interaction strength is estimated. We thus demonstrate that the phase transition due…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is transformed into a correlated form. In order to elucidate the microscopical origin of the parameters of the periodical Hubbard-Anderson model (PHAM) the terms of the full Hamiltonian which have the operator structure of PHAM are separated. It is found that the matrix element of mixing interaction includes ion-configuration and number-of-particles dependent contribut…
We investigate the infinite-dimensional two-orbital Hubbard model at arbitrary band fillings. By means of the self-energy functional approach, we discuss the stability of the metallic state in the systems with same and different bandwidths. It is found that the Mott insulating phases are realized at commensurate band fillings. Furthermore, it is clarified that the orbital selective Mott phase with one orbital localized and the other itinerant is stabilized even at fractional band fillings in the system with different bandwidths.
In PRB 68, 153101 (2003), Guoping Zhang presented density-matrix renormalization group (DMRG) results which contradict my DMRG calculations and Hirsch's quantum Monte Carlo (QMC) simulations for the charge-density-wave (CDW) phase boundary in the one-dimensional extended Hubbard model at half filling. In this Comment I show that Zhang's results are inaccurate and that his criticism of my work is groundless.
We study the ground state phase diagram of the Anderson-Hubbard model with correlated hopping at half filling in one-dimension. The Hamiltonian has a local Coulomb repulsion $U$ and a disorder potential with local energies randomly distributed in the interval $(-W,+W)$ with equal probability, acting on the singly occupied sites. The hopping process which modifies the number of doubly occupied sites is forbidden. The hopping between nearest-neighbor singly occupied and empty sites or between singly occupied and doubly occupied sites have the same amplitude $t$. We identify three different phase…
We briefly overview the importance of Hubbard and Anderson-lattice models as applied to explanation of high-temperature and heavy-fermion superconductivity. Application of the models during the last two decades provided an explanation of the paired states in correlated fermion systems and thus extended essentially their earlier usage to the description of itinerant magnetism, fluctuating valence, and the metal-insulator transition. In second part, we also present some of the new results concerning the unconventional superconductivity and obtained very recently in our group. A comparison with e…
We solve analytically the $N\times N$ square lattice Hubbard model for even $N$ at half filling and weak coupling by a new approach. The exact ground state wave function provides an intriguing and appealing picture of the antiferromagnetic order. Like at strong coupling, the ground state has total momentum $K_{tot}=(0,0)$ and transforms as an $s$ wave for even $N/2$ and as a $d$ wave otherwise.
We complete the proof that the two-dimensional Hubbard model at half-filling is not a Fermi liquid in the mathematically precise sense of Salmhofer, by establishing a lower bound on a second derivative in momentum of the first non-trivial self-energy graph.
In the present paper metal-insulator transition is studied in a generalized Hubbard model with correlated hopping at half-filling and zero temperature. Single-particle Green function and energy spectrum of electron system are calculated. The expressions for energy gap width and the concentration of polar states (holes or doublons) are obtained. The conditions for metallic and insulating states are found.
We have analyzed the antiferromagnetic (J>0) Kondo-Hubbard lattice with the band at half-filling by means of a perturbative approach in the strong coupling limit, the small parameter is an arbitrary tight-binding band. The results are valid for any band shape and any dimension. We have obtained the energies of elementary charge and spin excitations as well as the magnetic correlations in order to elucidate the magnetic and charge behavior of the Kondo lattice at half-filling. Finally, we have briefly analyzed the ferromagnetic case (J<0), which is shown to be equivalent to an effective antifer…
We present an efficient Monte Carlo method to study the properties of the infinitely repulsive Hubbard model with few holes at finite nonzero temperatures. Using this method, magnetic and specific heat results are presented for a 10 by 10 lattice with two holes. Our results show that the magnetization increases with decreasing temperature for such a finite system.
The diagram technique for the one-band Hubbard model is formulated for the case of moderate to strong Hubbard repulsion. The expansion in powers of the hopping constant is expressed in terms of site cumulants of electron creation and annihilation operators. For Green's function an equation of the Larkin type is derived and solved in a one-loop approximation for the case of two dimensions and nearest-neighbor hopping. With decreasing the electron concentration in addition to the four bands observed at half-filling a narrow band arises near the Fermi level. The dispersion of the new band, its ba…
We generalize the linear discrete dimensional scaling approach for the repulsive Hubbard model to obtain a nonlinear scaling relation that yields accurate approximations to the ground-state energy in both two and three dimensions, as judged by comparison to auxiliary-field quantum Monte Carlo (QMC) data. Predictions are made for the per-site ground-state energies in two and three dimensions for $n$ (filling factor) and $U$ (Coulomb interaction) values for which QMC data are currently unavailable.
We investigate in the Hartree Fock approximation the temperature and filling dependence of the superconducting $π$-phase for the Penson-Kolb-Hubbard model. Due to the presence of the pair-hopping term, the phase survives for repulsive values of the on-site Coulomb interaction, exhibiting an interesting filling and temperature dependence. The structure of the self-consistent equations peculiar to the $π$-phase of the model allows to explicitly solve them for the chemical potential. The phase diagrams are shown and discussed in dimension 2 and 3. We also show that, when a next-nearest neighbours…
Interplay of electron correlation and randomness is studied by using the Anderson-Hubbard model within the Hartree-Fock approximation. Under the coexistence of short-range interaction and diagonal disorder, we obtain the ground-state phase diagram in three dimensions, which includes an antiferromagnetic insulator, an antiferromagnetic metal, a paramagnetic insulator (Anderson-localized insulator) and a paramagnetic metal. Although only the short-range interaction is present in this model, we find unconventional soft gaps in the insulating phases irrespective of electron filling, spatial dimens…
We found that when the spinless model is off the half-filling regime ($μ\neq V$), the Helmholtz free energy (HFE) can be written as two $β$-expansions: one expansion comes from the half-filling configuration and another one that depends on the parameter $x = μ- V$. We show numerically that the chemical potential as a function of temperature satisfies a relation similar to the one derived from the particle-hole symmetry of the fermionic spinless model. We extend the $β$-expansion of the HFE of the one-dimensional fermionic spinless Hubbard model up to order $β^8$.
We investigate the Kagome lattice Hubbard model at half-filling by variational Monte-Carlo with testing the U(1)-Dirac spin liquid, uniform and valence bond crystal states. Even for the large-$U$ case the U(1) Dirac state, being the optimal state in the Heisenberg model, cannot be recovered. While the finite $U$ Hubbard model allows the introduction of vacancies in a different manner compared to the $t-J$ model, the physics appears to have many similarities. In particular a valence bond crystal is formed in the intermediate-$U$ regime. We observe an impact of the formation of this valence bond…
We present a theory of the DC electron transport in insulators near Anderson-Mott transitions under the influence of coexisting electron correlation and randomness. At sufficiently low temperatures, the DC electron transport in Anderson-Mott insulators is determined by the single-particle density of states (DOS) near the Fermi energy. Anderson insulators, caused by randomness, are characterized by a nonzero DOS at the Fermi energy. However, recently, the authors proposed that coexisting randomness and short-ranged interaction in insulators open a soft Hubbard gap in the DOS, and the DOS vanish…
We study with exact diagonalization the zero temperature properties of the quarter-filled extended Hubbard model on a square lattice. We find that increasing the ratio of the intersite Coulomb repulsion, $V$, to the band width drives the system from a metal to a charge ordered insulator. The evolution of the optical conductivity spectrum with increasing $V$ is compared to the observed optical conductivity of several layered molecular crystals with the theta and beta'' crystal structures.
We calculate the photoemission spectral function of the one-dimensional Hubbard model away from half filling using the dynamical density matrix renormalization group method. An approach for calculating momentum-dependent quantities in finite open chains is presented. Comparison with exact Bethe Ansatz results demonstrates the unprecedented accuracy of our method. Our results show that the photoemission spectrum of the quasi-one-dimensional conductor TTF-TCNQ provides evidence for spin-charge separation on the scale of the conduction band width.
We investigate the phase diagram of the three-dimensional Hubbard model at half filling using quantum Monte Carlo (QMC) simulations. The antiferromagnetic Neel temperature T_N is determined from the specific heat maximum in combination with finite-size scaling of the magnetic structure factor. Our results interpolate smoothly between the asymptotic solutions for weak and strong coupling, respectively, in contrast to previous QMC simulations. The location of the metal-insulator transition in the paramagnetic phase above T_N is determined using the electronic compressibility as criterion.
We propose a novel parametrization of the four-point vertex function in the one-loop one-particle irreducible renormalization group (RG) scheme for fermions. It is based on a decomposition of the effective two-fermion interaction into fermion bilinears that interact via exchange bosons. Besides being more efficient than previous N-patch schemes, this parametrization also reduces the ambiguity of introducing boson fields. We apply this parametrization to the two-dimensional (t,t')-Hubbard model using a novel $Ω$-frequency regularization.
