Excitation spectrum of one-dimensional extended ionic Hubbard model

We use perturbative continuous unitary transformations (PCUT) to study the one dimensional extended ionic Hubbard model (EIHM) at half-filling in the band insulator region. The extended ionic Hubbard model, in addition to the usual ionic Hubbard model, includes an inter-site nearest-neighbor (n.n.) repulsion, V. We consider the ionic potential as unperturbed part of the Hamiltonian, while the hopping and interaction (quartic) terms are treated as perturbation. We calculate total energy and ionicity in the ground state. Above the ground state, (i) we calculate the single particle excitation spectrum by adding an electron or a hole to the system; (ii) the coherence-length and spectrum of electron-hole excitation are obtained. Our calculations reveal that for V = 0, there are two triplet bound state modes and three singlet modes, two anti-bound states and one bound state, while for finite values of V there are four excitonic bound states corresponding to two singlet and two triplet modes. The major role of on-site Coulomb repulsion U is to split singlet and triplet collective excitation branches, while V tends to pull the singlet branches below the continuum to make them bound states.     

Charge orderings in the atomic limit of the extended Hubbard model

The extended Hubbard model in the atomic limit (AL-EHM) on a square lattice with periodic boundary conditions is studied with use of the Monte Carlo (MC) method. Within the grand canonical ensemble the phase and order-order boundaries for charge orderings are obtained. The phase diagrams include three types of charge ordered phases and the nonordered phase. The system exhibits very rich structure and shows unusual multicritical behavior. In the limiting case of t_ij=0, the EHM is equivalent to the pseudospin model with single-ion anisotropy , exchange interaction W in an effective magnetic field . This classical spin model is analyzed using the MC method for the canonical ensemble. The phase diagram is compared with the known results for the Blume-Capel model.     

Different orderings in the narrow-band limit of the extended Hubbard model on the Bethe lattice

We present the exact solution of a system of Fermi particles living on the sites of a Bethe lattice with coordination number z and interacting through on-site U and nearest-neighbor V interactions. This is a physical realization of the extended Hubbard model in the atomic limit. Within the Green’s function and equations of motion formalism, we provide a comprehensive analysis of the model and we study the phase diagram at finite temperature in the whole model’s parameter space, allowing for the on-site and nearest-neighbor interactions to be either repulsive or attractive. We find the existence of critical regions where charge ordering (V > 0) and phase separation (V < 0) are observed. This scenario is endorsed by the study of several thermodynamic quantities.     

Ground states of extended Hubbard models in the atomic limit

The possible ground states of an extended Hubbard model in the atomic limit, augmented by an additional nearest neighbour Ising-like interaction and an external magnetic field, are rigorously determined for arbitrary values of the coupling parameters and arbitrary chemical potential. The method used requires only simple convexity arguments and the examination of all possible configurations of small clusters of lattice sites, which may be done by computer. The results are valid for all lattices ofAB type (two interpenetrating sublattices). The type of order found are ferromagnetic, antiferromagnetic, and charge density wave. Perturbation theory suggests that for finite band width there may be a state showing both a charge density wave and ferromagnetic order.     

Electron charge ordering in the extended Hubbard model

The Hubbard model on 3-dimensionalsc lattice with an attractive or repulsive on site interaction, augmented by a renulsive nearest neighbour interaction and its atomic limit are studied using the method of infrared bounds. Conditions upon interactions for the existence of a temperature driven phase transition to so called charge ordered phase are derived. A lower bound in terms of interactions for the corresponding critical temperature is calculated.     

Flow equations for the ionic Hubbard model

Taking the site-diagonal terms of the ionic Hubbard model (IHM) in one and two spatial dimensions, as H₀, we employ Continuous Unitary Transformations (CUT) to obtain a “classical” effective Hamiltonian in which hopping term has been renormalized to zero. For this Hamiltonian spin gap and charge gap are calculated at half-filling and subject to periodic boundary conditions. Our calculations indicate two transition points. In fixed Δ, as U increases from zero, there is a region in which both spin gap and charge gap are positive and identical; characteristic of band insulators. Upon further increasing U, first transition occurs at U=Uc₁, where spin and charge gaps both vanish and remain zero up to U=Uc₂. A gap-less state in charge and spin sectors characterizes a metal. For U>Uc₂ spin gap remains zero and charge gap becomes positive. This third region corresponds to a Mott insulator in which charge excitations are gaped, while spin excitations remain gap-less.     

A field-theoretical approach to the extended Hubbard model

We transform the quartic Hubbard terms in the extended Hubbard model to a quadratic form by making the Hubbard–Stratonovich transformation for the electron operators. This transformation allows us to derive exact results for mass operator and charge–charge and spin–spin correlation functions for s-wave superconductivity. We discuss the application of the method to the d-wave superconductivity.     

Superconductivity in a two dimensional extended Hubbard model

The Roth’s two-pole approximation has been used by the present authors to investigate the role of d-p hybridization in the superconducting properties of an extended d-p Hubbard model. Superconductivity with singlet -wave pairing is treated by following Beenen and Edwards formalism. In this work, the Coulomb interaction, the temperature and the superconductivity have been considered in the calculation of some relevant correlation functions present in the Roth’s band shift. The behavior of the order parameter associated with temperature, hybridization, Coulomb interaction and the Roth’s band shift effects on superconductivity are studied.     

On the theory of superconductivity in the extended Hubbard model

A microscopic theory of superconductivity in the extended Hubbard model which takes into account the intersite Coulomb repulsion and electron-phonon interaction is developed in the limit of strong correlations. The Dyson equation for normal and pair Green functions expressed in terms of the Hubbard operators is derived. The self-energy is obtained in the noncrossing approximation. In the normal state, antiferromagnetic short-range correlations result in the electronic spectrum with a narrow bandwidth. We calculate superconducting T _c by taking into account the pairing mediated by charge and spin fluctuations and phonons. We found the d-wave pairing with high-T _c mediated by spin fluctuations induced by the strong kinematic interaction for the Hubbard operators. Contributions to the d-wave pairing coming from the intersite Coulomb repulsion and phonons turned out to be small.     

Entanglement and quantum phase transition in the extended Hubbard model

We study quantum entanglement in a one-dimensional correlated fermionic system. Our results show, for the first time, that entanglement can be used to identify quantum phase transitions in fermionic systems.     

A doubly degenerate Hubbard model in the strongly correlated limit

Using a doubly degenerate Hubbard model we derive an effective Hamiltonian in the limiting case where the Coulomb repulsion is much greater than the hopping constant. A brief discussion of this Hamiltonian is given.     

Phase diagram of the one-dimensional half-filled extended Hubbard model

We determine the ground-state phase diagram of the one-dimensional half-filled Hubbard model with on-site (nearest-neighbor) repulsive interaction U (V) and nearest-neighbor hopping t using the density-matrix renormalization group technique. Based on the results of the excitation gaps, Luttinger-liquid exponents, and bond-order-wave (BOW) order parameter, we confirm that the BOW phase appears in a substantial region between the charge-density-wave (CDW) and spin-density-wave phases. Each phase boundary is determined by multiple means and it allows us to make a cross-check on the validity of our estimations. We also find that the BOW-CDW transition changes from continuous to first order at the tricritical point (U(t),V(t)) approximately (5.89 t,3.10 t) and the BOW phase shrinks to zero at the critical end point (U(c),V(c)) approximately (9.25 t,4.76 t).     

Supersolid phases in the one-dimensional extended soft-core bosonic Hubbard model

We present results of quantum Monte Carlo simulations for the soft-core extended bosonic Hubbard model in one dimension exhibiting the presence of supersolid phases similar to those recently found in two dimensions. We find that in one and two dimensions, the insulator-supersolid transition has dynamic critical exponent z = 2 whereas the first order insulator-superfluid transition in two dimensions is replaced by a continuous transition with z = 1 in one dimension. We present evidence that this transition is in the Kosterlitz-Thouless universality class and discuss the mechanism behind this difference. The simultaneous presence of two types of quasi-long-range order results in two solitonlike dips in the excitation spectrum.     

Superconducting instability in the large-U limit of the two-dimensional Hubbard model

We have investigated numerically the pairing instabilities of Gutzwiller wavefunctions. These are equivalent to a certain form of the resonant valence bond wavefunction. The case considered is a nearly half-filled two dimensional band with interactions given by a Hubbard model with large on-site Coulomb interactions. We find that the paramagnetic normal state is unstable tod-wave pairing but stable againsts-wave pairing. The antiferromagnetic state is marginally stable against both types of pairing. These results can be explained as an interference effect resulting in enhanced antiferromagnetic spin correlation in the paired state.     

Polaron effects in the nearly atomic limit of the Hubbard model

The Hubbard Model of electron correlation effects in solids is unified with Holstein's molecular crystal model for small polarons as a first step in studying electron-phonon coupling in π-bonded organic solids. Some implications of the electron-lattice coupling on both the single particle excitation spectrum and the effective Heisenberg exchange energy are discussed.