Quantum Entanglement in Ground State of Extended Hubbard Model

Metal-insulator and CDW-SDW transitions are studied in the one-dimensional Extended Hubbard Model at half-filling by analysing the behaviour of local entanglement in fermionic systems. 1D traditional Hubbard model exhibits metal-insulator transition at critical point U_c = 0, where local entanglement reaches its maximum value. Moreover, a transition between charge- and spin-density- wave (CDW-SDW) occurs in 1D Extended Hubbard Model tUV with long-range interaction at straight line U = 2 V. The analysis of our obtained results shows that CDW-SDW transition has curious properties whose can be used in quantum information processing.

     

Persistent current and Drude weight for the one-dimensional Hubbard model from current lattice density functional theory

The Bethe ansatz local density approximation (LDA) to lattice density functional theory (LDFT) for the one-dimensional repulsive Hubbard model is extended to current-LDFT (CLDFT). The transport properties of mesoscopic Hubbard rings threaded by a magnetic flux are then systematically investigated by this scheme. In particular we present calculations of ground state energies, persistent currents and Drude weights for both a repulsive homogeneous and a single impurity Hubbard model. Our results for the ground state energies in the metallic phase compare favorably well with those obtained with numerically accurate many-body techniques. Also the dependence of the persistent currents on the Coulomb and the impurity interaction strength, and on the ring size are all well captured by LDA-CLDFT. Our study demonstrates the value of CLDFT in describing the transport properties of one-dimensional correlated electron systems. As its computational overheads are rather modest, we propose this method as a tool for studying problems where both disorder and interaction are present.     

Electronic Correlation Effects on the Optical Properties of SiC,BeO and Boron Nitride Nanotubes and Monolayers

We present numerical calculation of the impact of electron-electron interaction on the behavior of density of states and optical properties of BeO, SiC and Boron-Nitride nanotubes and sheets. Hubbard model hamiltonian is applied to describe the dynamics of electrons on the lattice structure of theses compounds. The excitation spectrum of the system in the presence of local electronic interactions has been found using mean field approach. We find the band gap width in both optical absorption and density of states reduces with local Hubbard electronic interaction parameter. The absorption spectra exhibits the remarkable peaks, mainly owing to the divergence behavior of density of states and excitonic effects. Also we compare optical absorption frequency behavior of BeO, SiC and Boron-Nitride nanotubes with each other. Furthermore we investigate the optical properties of BeO and SiC sheets. A novel feature of optical conductivity of these structures is the decrease of frequency gap in the optical spectrum due to electronic interaction.     

Electronic Correlation Effects on the Optical Properties of SiC,BeO and Boron Nitride Nanotubes and Monolayers

We present numerical calculation of the impact of electron-electron interaction on the behavior of density of states and optical properties of BeO,SiC and Boron-Nitride nanotubes and sheets.Hubbard model hamiltonian is applied to describe the dynamics of electrons on the lattice structure of theses compounds.The excitation spectrum of the system in the presence of local electronic interactions has been found using mean Seld approach.We find the band gap width in both optical absorption and density of states reduces with local Hubbard electronic interaction parameter.The absorption spectra exhibits the remarkable peaks,mainly owing to the divergence behavior of density of states and excitonic effects.Also we compare optical absorption frequency behavior of BeO,SiC and Boron-Nitride nanotubes with each other.Furthermore we investigate the optical properties of BeO and SiC sheets.A novel feature of optical conductivity of these structures is the decrease of frequency gap in the optical spectrum due to electronic interaction.     

Band structure of a one-dimensional Peierls-Hubbard-model

A mean field theory for a model Hamiltonian including the Fröhlich electron-phonon coupling term as well as the Hubbard electron-electron interaction term is presented.For the non antiferromagnetic case the band structure is derived; the Peierls-gap is found to be reduced but not to be quenched.     

Universality of Conductivity in Interacting Graphene

The Hubbard model on the honeycomb lattice describes charge carriers in graphene with short range interactions. While the interaction modifies several physical quantities, like the value of the Fermi velocity or the wave function renormalization, the a.c. conductivity has a universal value independent of the microscopic details of the model: there are no interaction corrections, provided that the interaction is weak enough and that the system is at half filling. We give a rigorous proof of this fact, based on exact Ward Identities and on constructive Renormalization Group methods.     

Correlation mediated superconductivity in a “HighT c ” model

We present a simple model to account for the High-T _c perovskite superconductors. The superconducting mechanism is purely electronic and comes from local Hubbard correlations. The model comprises a Hubbard model for the Copper sites with a single particle Oxygen band between the two Copper Hubbard bands. The electrons move only between nearest neighbour atoms which are of different types. Using two very different approximation schemes, one related to Slave-Boson mean field theory and the other based on an exact local Fermion transformation, we show the possibility of Copper-Oxygen or a mixture of Copper-Oxygen and Oxygen-Oxygen pairing. We believe that the most promising situation for superconductivity is with the Oxygen band over half-filled and closer in energy to the lower Hubbard band.     

Local density approximation in site-occupation embedding theory

ABSTRACT

Site-occupation embedding theory (SOET) is a density functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory is presented here for the Hubbard Hamiltonian. In contrast to conventional DFT approaches, the site (or orbital) occupations are deduced in SOET from a partially interacting system consisting of one (or more) impurity site(s) and non-interacting bath sites. The correlation energy of the bath is then treated implicitly by means of a site-occupation functional. In this work, we propose a simple impurity-occupation functional approximation based on the two-level (2L) Hubbard model which is referred to as two-level impurity local density approximation (2L-ILDA). Results obtained on a prototypical uniform eight-site Hubbard ring are promising. The extension of the method to larger systems and more sophisticated model Hamiltonians is currently in progress.     

Quantum well states in thin (110)-oriented Au films and k-space symmetry

We study the one- and two-dimensional extended Hubbard model by means of the Composite Operator Method within the 2-pole approximation. The fermionic propagator is computed fully self-consistently as a function of temperature, filling and Coulomb interactions. The behaviors of the chemical potential (global indicator) and of the double occupancy and nearest-neighbor density-density correlator (local indicators) are analyzed in detail as primary sources of information regarding the instability of the paramagnetic (metal and insulator) phase towards charge ordering driven by the intersite Coulomb interaction. Very rich phase diagrams (multiple first and second order phase transitions, critical points, reentrant behavior) have been found and discussed with respect to both metal-insulator and charge ordering transitions: the connections with the experimental findings relative to some manganese compounds are analyzed. Moreover, the possibility of improving the capability of describing cuprates with respect to the simple Hubbard model is discussed through the analysis of the Fermi surface and density of states features. We also report about the specific heat behavior in presence of the intersite interaction and the appearance of crossing points.Received: 2 July 2004, Published online: 12 October 2004PACS: 71.10.-w Theories and models of many-electron systems - 71.10.Fd Lattice fermion models (Hubbard model, etc.) - 71.27. + a Strongly correlated electron systems; heavy fermions     

Band effects on the conductivity for a two-band Hubbard model

The band effects on the conductivity of a one-dimensional two-band Hubbard model is studied based on the ground state energy analysis. It is found that the system with filling factor one is a metal at zero temperature if the on-site interaction U is smaller than a critical value U_c, and is an insulator if U is larger than U_c. The value of metal-insulator transition point U_c is obtained. This result is different from that of 1D single-band Hubbard model where the quantum phase transition point U_c=0. Therefore, the orbital degree of freedom plays an essential role in the states of matter.     

有限温度下一维Hubbard模型的化学势泛函理论研究

通过数值方法求解了有限温度下一维均匀Hubbard模型的热力学Bethe-ansatz方程组,得到了在给定温度和相互作用强度情况下,比热c、磁化率χ和压缩比κ随化学势μ的变化图像.基于有限温度下一维均匀Hubbard模型的精确解,利用化学势(μ)-泛函理论研究了一维谐振势下的非均匀Hubbard模型,给出了金属态和Mott绝缘态下不同温度情况时局域粒子密度n_i和局域压缩比_κi随格点的变化情况.     

Separable interactions and liquid He : III. Landau expansion in the presence of a Hubbard interaction

In this paper we derive the Landau expansion for the ordered phases of liquid ³He in the presence of a magnetic field starting from a model hamiltonian which contains an l = 1 pairing interaction of the BCS type and a contact term of the Hubbard type. In the derivation use is made of an exact theorem in the theory of separable interactions and the contribution from the Hubbard interaction is evaluated in second order perturbation calculation. Some typical differences with the results based on a spin fluctuation theory are mentioned.     

Hubbard-type solution in the planar approximation

The Hubbard solution to the Hubbard model showed a non-trivial metal-insulator transition. The value of the one-particle density of states at the Fermi energy in that solution decreased continuously with increasing value of the Hubbard interaction and vanished at a critical value of the interaction. Such a solution is derived from a planar model, as an approximation to the exact construction of the model's one-particle Green function.     

Local Gaussian domination and Bose condensation in lattice boson model

We use infrared bounds method to study the existence of a Bose condensation phase transition in a three-dimensional lattice model of interacting bosons. Upper bound (local Gaussian domination) is presented on the Bogolyubov inner product of creation and annihilation bosonic operators in momentum space. We focus on the situation with a non-negative chemical potential. The presence of a Bose condensation is established for sufficiently small superstable interaction potential. A special case of the model considered is the Bose–Hubbard model.     

Quantum Phase Transition and Local Entanglement in Extended Hubbard Model on Anisotropic Triangular Lattices

Using a mean-field theory based upon Hartree-Fock approximation, we theoretically investigate the competition between the metallic conductivity, spin order and charge order phases in a two-dimensional half-filled extended Hubbard model on anisotropic triangular lattice. Bond order, double occupancy, spin and charge structure factor are calculated, and the phase diagram of the extended Hubbard model is presented. It is found that the interplay of strong interaction and geometric frustration leads to exotic phases, the charge fluctuation is enhanced and three kinds of charge orders appear with the introduction of the nearest-neighbor interaction. Moreover, for different frustrations, it is also found that the antiferromagnetic insulating phase and nonmagnetic insulating phase are rapidly suppressed, and eventually disappeared as the ratio between the nearest-neighbor interaction and on-site interaction increases. This indicates that spin order is also sensitive to the nearest-neighbor interaction. Finally, the single-site entanglement is calculated and it is found that a clear discontinuous of the single-site entanglement appears at the critical points of the phase transition.     

On Superconductivity State in Pure Graphene

We study theoretically the possibility of superconductivity state in pure graphene within the extended attractive Hubbard model. In the absence of disorder, when we use the local attractive interaction potential, U≌5t, where t is hopping term, pure graphene can be in superconductivity state.     

Correlation effects in quantum spin-Hall insulators: a quantum Monte Carlo study

We consider the Kane-Mele model supplemented by a Hubbard U term. The phase diagram is mapped out using projective auxiliary field quantum Monte Carlo simulations. The quantum spin liquid of the Hubbard model is robust against weak spin-orbit interaction, and is not adiabatically connected to the spin-Hall insulating state. Beyond a critical value of U>U(c) both states are unstable toward magnetic ordering. In the quantum spin-Hall state we study the spin, charge, and single-particle dynamics of the helical Luttinger liquid by retaining the Hubbard interaction only on a ribbon edge. The Hubbard interaction greatly suppresses charge currents along the edge and promotes edge magnetism but leaves the single-particle signatures of the helical liquid intact.     

A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems

The dynamical mean field theory (DMFT) has emerged as one of the most importantframeworks for theoretical investigations of strongly correlated lattice models and realmaterial systems. Within DMFT, a lattice model can be mapped onto the problem of amagnetic impurity embedded in a self-consistently determined bath. The solution of thisimpurity problem is the most challenging step in this framework. The available numericallyexact methods such as quantum Monte Carlo, numerical renormalization group or exactdiagonalization are naturally unbiased and accurate, but are computationally expensive.Thus, approximate methods, based e.g. on diagrammatic perturbation theory have gainedsubstantial importance. Although such methods are not always reliable in various parameterregimes such as in the proximity of phase transitions or for strong coupling, theadvantages they offer, in terms of being computationally inexpensive, with real frequencyoutput at zero and finite temperatures, compensate for their deficiencies and offer aquick, qualitative analysis of the system behavior. In this work, we have developed such amethod, that can be classified as a multi-orbital iterated perturbation theory (MO-IPT) tostudy N-folddegenerate and non degenerate Anderson impurity models. As applications of the solver, wehave embedded the MO-IPT within DMFT and explored lattice models like the single orbitalHubbard model, covalent band insulator and the multi-orbital Hubbard model fordensity-density type interactions in different parameter regimes. The Hund’s couplingeffects in case of multiple orbitals is also studied. The limitations and quality ofresults are gauged through extensive comparison with data from the numerically exactcontinuous time quantum Monte Carlo method (CTQMC). In the case of the single orbitalHubbard model, covalent band insulators and non degenerate multi-orbital Hubbard models,we obtained an excellent agreement between the Matsubara self-energies of MO-IPT andCTQMC. But for the degenerate multi-orbital Hubbard model, we observe that the agreementwith CTQMC results gets better as we move away from particle-hole symmetry. We have alsointegrated MO-IPT+DMFT with density functional theory based electronic structure methodsto study real material systems. As a test case, we have studied the classic, stronglycorrelated electronic material, SrVO₃. A comparison of density of states and photo emissionspectrum (PES) with results obtained from different impurity solvers and experimentsyields good agreement.     

Temperature effects on superfluid phase transition in Bose–Hubbard model with three-body interaction

We theoretically investigate the effect of the three-body on-site interactions on the Mott-insulator–superfluid transition for ultracold bosonic atoms in the framework of the Bose–Hubbard model. In particular, we explore the combined effects of three-body interaction and finite temperature on the phase diagram in detail. In order to handle system with strong local interactions a resolvent expansion technique based on the contour integral representation of the partition function has been devised. Subsequently, we derive the Landau-type expansion for the free energy in terms of the superfluid order parameter and find the phase diagrams depicting the relationships between various physical quantities of interest.