Ground-state phase diagram of a half-filled one-dimensional extended hubbard model

The density-matrix renormalization group is used to study the phase diagram of the one-dimensional half-filled Hubbard model with on-site (U) and nearest-neighbor (V) repulsion and hopping t. A critical line V(c)(U) approximately U/2 separates a Mott insulating phase from a charge-density-wave phase. The formation of bound charge excitations for V>2t changes the phase transition from continuous to first-order at a tricritical point U(t) approximately 3.7t, V(t)=2t. A frustrating effective antiferromagnetic spin coupling induces a bond-order-wave phase on the critical line V(c)(U) for U(t)相似文献   

Continuum of many-particle states near the metal-insulator transition in the Hubbard model

The strong coupling diagram technique is used for investigating states near the metal-insulator transition in the half-filled two-dimensional repulsive Hubbard model. The nonlocal third-order term is included in the irreducible part along with local terms of lower orders. Derived equations for the electron Green’s function are solved by iteration for moderate Hubbard repulsions and temperatures. Starting iteration from Green’s functions of the Hubbard-I approximation with various distances of poles from the real frequency axis continua of different metallic and insulating solutions are obtained. The insulating solutions vary in the width of the Mott gap, while the metallic solutions differ in the shape of the spectral function in the vicinity of the Fermi level. Besides, different scenarios of the metal-insulator transition – with a sudden onset of a band of mobile states near the Fermi level and with gradual closure of the Mott gap – are observed with a change in temperature. In spite of these dissimilarities, all solutions have a common curve separating metallic and insulating states in the phase diagram. Near this curve metallic and insulating solutions coexist. For moderate Hubbard repulsions metallic solutions are not Fermi liquids.     

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.     

Correlations and confinement of excitations in an asymmetric Hubbard ladder

Correlation functions and low-energy excitations are investigated in the asymmetric two-leg ladder consisting of a Hubbard chain and a noninteracting tight-binding (Fermi) chain using the density matrix renormalization group method. The behavior of charge, spin and pairing correlations is discussed for the four phases found at half filling, namely, Luttinger liquid, Kondo-Mott insulator, spin-gapped Mott insulator and correlated band insulator. Quasi-long-range antiferromagnetic spin correlations are found in the Hubbard leg in the Luttinger liquid phase only. Pair-density-wave correlations are studied to understand the structure of bound pairs found in the Fermi leg of the spin-gapped Mott phase at half filling and at light doping but we find no enhanced pairing correlations. Low-energy excitations cause variations of spin and charge densities on the two legs that demonstrate the confinement of the lowest charge excitations on the Fermi leg while the lowest spin excitations are localized on the Hubbard leg in the three insulating phases. The velocities of charge, spin, and single-particle excitations are investigated to clarify the confinement of elementary excitations in the Luttinger liquid phase. The observed spatial separation of elementary spin and charge excitations could facilitate the coexistence of different (quasi-)long-range orders in higher-dimensional extensions of the asymmetric Hubbard ladder.     

Observation of disorder-induced 2D mott-hubbard states of the alkali-earth metal (Mg,Ba)-adsorbed Si(111) surface

We report evidence of a disorder-driven Mott-Hubbard-type localization on the alkali-earth metal (AEM) (Mg,Ba)-adsorbed Si(111)-(7x7) surface. The clean metallic Si(111) surface is found to undergo a two-dimensional (2D) metal-insulator transition as randomly distributed AEM adsorbates cause disorder on the surface. A well-defined electron-energy-loss peak unique to the insulating phase is attributed to an interband excitation between the split Hubbard bands originated from a metallic surface band at Fermi energy. A quantitative analysis of the loss peak reveals that the AEM-induced insulating surfaces are of a Mott-Hubbard type driven essentially by disorder.     

Variational Scheme for the Mott Transition

The Hubbard model is studied at half filling, using two complementary variational wave functions, the Gutzwiller ansatz for the metallic phase at small values of the interaction parameter U and its analog for the insulating phase at large values of U. The metallic phase is characterized by the Drude weight, which exhibits a jump at the critical point U_c. In the insulating phase the system behaves as a collection of dipoles which increase both in number and in size as U gets smaller. The two wave functions are able to describe the two asymptotic regimes (small and large values of U, respectively), but they can no longer be trusted in the region of the Mott transition (UU_c). More powerful methods are needed to study, for instance, the divergence of the electric susceptibility for UU_c.     

Correlated insulated phase suggests bond order between band and mott insulators in two dimensions

We investigate the ground state phase diagram of the half-filled repulsive Hubbard model in two dimensions in the presence of a staggered potential Delta, the so-called ionic Hubbard model, using cluster dynamical mean-field theory. We find that for large Coulomb repulsion, U > Delta, the system is a Mott insulator (MI). For weak to intermediate values of Delta, on decreasing U, the Mott gap closes at a critical value Uc1(Delta) beyond which a correlated insulating phase with possible bond order is found. Further, this phase undergoes a first-order transition to a band insulator (BI) at Uc2(Delta) with a finite charge gap at the transition. For large Delta, there is a direct first-order transition from a MI to a BI with a single metallic point at the phase boundary.     

Effective spin model for the spin-liquid phase of the Hubbard model on the triangular lattice

We show that the spin-liquid phase of the half-filled Hubbard model on the triangular lattice can be described by a pure spin model. This is based on a high-order strong coupling expansion (up to order 12) using perturbative continuous unitary transformations. The resulting spin model is consistent with a transition from three-sublattice long-range magnetic order to an insulating spin-liquid phase, and with a jump of the double occupancy at the transition. Exact diagonalizations of both models show that the effective spin model is quantitatively accurate well into the spin-liquid phase, and a comparison with the Gutzwiller projected Fermi sea suggests a gapless spectrum and a spinon Fermi surface.     

Phases of the infinite U Hubbard model on square lattices

We apply the density matrix renormalization group to study the phase diagram of the infinite U Hubbard model on 2- to 6-leg ladders. Where the results are largely insensitive to the ladder width, we consider the results representative of the 2D square lattice. We find a fully polarized ferromagnetic Fermi liquid phase when n, the density of electrons per site, is in the range 1>n?0.800. For n=3/4 we find an unexpected insulating checkerboard phase with coexisting bond-density order with 4 sites per unit cell and block-spin antiferromagnetic order with 8 sites per unit cell. For 3/4>n, all ladders with width >2 have unpolarized ground states.     

Antiferromagnetism and superconductivity in layered organic conductors: Variational cluster approach

The kappa-(ET)2X layered conductors (where ET stands for BEDT-TTF) are studied within the dimer model as a function of the diagonal hopping t' and Hubbard repulsion U. Antiferromagnetism and d-wave superconductivity are investigated at zero temperature using variational cluster perturbation theory (VCPT). For large U, Néel antiferromagnetism exists for t' < t(c2)', with t(c2)' approximately 0.9. For fixed t', as U is decreased (or pressure increased), a d(x2-y2) superconducting phase appears. When U is decreased further, then a d(xy) order takes over. There is a critical value of t(c1)' approximately 0.8 of t' beyond which the AF and dSC phases are separated by the Mott disordered phase.     

Non-Fermi-liquid phases in the two-band Hubbard model: finite-temperature exact diagonalization study of Hund's rule coupling

The two-band Hubbard model involving subbands of different widths is investigated via finite-temperature exact diagonalization (ED) and dynamical mean field theory (DMFT). In contrast to the quantum Monte Carlo (QMC) method which at low temperatures includes only Ising-like exchange interactions to avoid sign problems, ED permits a treatment of Hund's exchange and other onsite Coulomb interactions on the same footing. The role of finite-size effects caused by the limited number of bath levels in this scheme is studied by analyzing the low-frequency behavior of the subband self-energies as a function of temperature, and by comparing with numerical renormalization group (NRG) results for a simplified effective model. For half-filled, non-hybridizing bands, the metallic and insulating phases are separated by an intermediate mixed phase with an insulating narrow and a bad-metallic wide subband. The wide band in this phase exhibits different degrees of non-Fermi-liquid behavior, depending on the treatment of exchange interactions. Whereas for complete Hund's coupling, infinite lifetime is found at the Fermi level, in the absence of spin-flip and pair-exchange, this lifetime becomes finite. Excellent agreement is obtained both with new NRG and previous QMC/DMFT calculations. These results suggest that-finite temperature ED/DMFT might be a useful scheme for realistic multi-band materials.     

A cellular dynamical mean field theory approach to Mottness

We investigate the properties of a strongly correlated electron system in the proximity of a Mott insulating phase within the Hubbard model, using a cluster generalization of the dynamical mean field theory. We find that Mottness is intimately connected with the existence in momentum space of a surface of zeros of the single particle Green’s function. The opening of a Mott-Hubbard gap at half filling and the opening of a pseudogap at finite doping are necessary elements for the existence of this surface. At the same time, the Fermi surface may change topology or even disappear. Within this framework, we provide a simple picture for the appearance of Fermi arcs. We identify the strong short-range correlations as the source of these phenomena and we identify the cumulant as the natural irreducible quantity capable of describing this short-range physics. We develop a new version of the cellular dynamical mean field theory based on cumulants that provides the tools for a unified treatment of general lattice Hamiltonians.     

The ground state of the two-leg Hubbard ladder a density-matrix renormalization group study

We present density-matrix renormalization group results for the ground state properties of two-leg Hubbard ladders. The half-filled Hubbard ladder is an insulating spin-gapped system, exhibiting a crossover from a spin liquid to a band insulator as a function of the interchain hopping matrix element. When the system is doped, there is a parameter range in which the spin gap remains. In this phase, the doped holes from singlet pairs and the pair field and the “4k_F” density correlations associated with pair-density fluctuations decay as power laws, while the “2k_F” charge density wave correlations decay exponentially. We discuss the behavior of the exponents of the pairing and density correlations within this spin-gapped phase. Additional one-band Luttinger liquid phases which occur in the large interband hopping regime are also discussed.     

d-Mott phases in one and two dimensions

We use exact diagonalization to determine the spectrum of reduced Hamiltonians based on renormalization group flows to strong coupling. For the half-filled two-leg Hubbard ladder we reproduce the known insulating d-Mott ground state with spin and charge gaps. For the saddle point regions of the two-dimensional Hubbard model near half filling we find a crossover to a similar strong coupling state, which truncates the Fermi surface near the saddle points. At lower scales d-wave superconductivity appears on the remaining Fermi surface.     

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.     

Hubbard model on the triangular lattice: spiral order and spin liquid

We investigate the half-filled Hubbard model on an isotropic triangular lattice with the variational cluster approximation. By decreasing the on-site repulsion U (or equivalently increasing pressure) we go from a phase with long-range, three-sublattice, spiral magnetic order, to a nonmagnetic Mott insulating phase--a spin liquid--and then, for U less or similar to 6.7t, to a metallic phase. Clusters of sizes 3, 6, and 15 with open boundary conditions are used in these calculations, and an extrapolation to infinite size is argued to lead to a disordered phase at U = 8t, but to a spiral order at U greater or similar to 12.     

Finite-temperature phase transitions in a two-dimensional boson Hubbard model

We study finite-temperature phase transitions in a two-dimensional boson Hubbard model with zero-point quantum fluctuations via Monte Carlo simulations of a quantum rotor model and construct the corresponding phase diagram. Compressibility shows a thermally activated gapped behavior in the insulating regime. Finite-size scaling of the superfluid stiffness clearly shows the nature of the Kosterlitz-Thouless transition. The transition temperature T(c) confirms a scaling relation T(c) proportional, rho(0)(x), with x=1.0. Some evidence of anomalous quantum behavior at low temperatures is presented.     

Hubbard模型中的相位弦效应与交互Chern-Simons理论

费米子符号在费米液体理论中至关重要. 然而, 在Mott绝缘体中, 很强的电子Coulomb相互作用抑制了体系的电荷涨落并消除了电子交换带来的费米子符号问题. 本文首先回顾二分晶格上Hubbard模型的相位弦理论, 从弱关联的费米液体到强关联的反铁磁Mott绝缘体的转变可以由此得到统一理解. 在任意Coulomb作用强度U下, 我们首先导出Hubbard模型的严格的符号结构. 在小U极限下, 它回到通常的费米子符号; 在大U极限下, 它给出了t-J模型的相位弦符号. 在半满情形下, 我们构造了一种电子分数化的表象, 其中, 电荷子与自旋子通过演生的交互Chern-Simons规范场相互耦合. 由此导出的基态波函数拟设与低能有效理论可以定性刻画Hubbard模型的基态相图. 在弱关联区域, 费米液体的准粒子由电荷子与自旋子的束缚态构成, 其长程相位相干性取决于背景自旋的关联性质. 体系的Mott转变可以通过电荷子打开能隙或是通过自旋子玻色凝聚来实现.     

SU(2) gauge theory of the Hubbard model: emergence of an anomalous metallic phase near the Mott critical point

We propose one possible mechanism for an anomalous metallic phase appearing frequently in two spatial dimensions, that is, local pairing fluctuations. Introducing a pair-rotor representation to decompose bare electrons into collective pairing excitations and renormalized electrons, we derive an SU(2) gauge theory of the Hubbard model as an extended version of its U(1) gauge theory. Since our effective SU(2) gauge theory admits two kinds of collective bosons corresponding to pair excitations and density fluctuations, respectively, an intermediate phase appears naturally between the spin liquid Mott insulator and Fermi liquid metal of the U(1) gauge theory, characterized by softening of density-fluctuation modes as the Fermi liquid, but gapping of pair-excitation modes. We show that this intermediate phase is identified with an anomalous metallic phase because there are no electronlike quasiparticles although it is metallic.     

Anisotropy of the energy gap in the insulating phase of the U-t-t' Hubbard model

We apply a diagrammatic expansion method around the atomic limit () for the U-t-t ' Hubbard model at half filling and finite temperature by means of a continued fraction representation of the one-particle Green's function. From the analysis of the spectral function we find an energy dispersion relation with a modulation of the energy gap in the insulating phase. This anisotropy is compared with experimental ARPES results on insulating cuprates. Received 18 May 2000 and Received in final form 9 August 2000