The (1 × 1) structure of Si(111): Strong correlations in surface state bands?

It is shown that a model in which surface states in the semiconductor gap are described by the Hubbard model yields an interpretation of photoemission from the (1 × 1) structure of Si(111) which is compatible with the relaxed upper layer structure extracted from analyses of low energy electron diffraction intensities. The model predicts a low temperature antiferromagnetic ground state for the two-dimensional surface state electron fluid. This state should be observable experimentally.     

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.     

Antiferromagnetism in the Hubbard model

The energy spectrum of the two-sublattice Hubbard model is obtained in the static-fluctuation approximation. It is shown how the structure of the energy spectrum is modified as the parameters of the Hubbard model are varied. The ground state of the simple Hubbard model of dimension d=2 is the dielectric antiferromagnetic state. The author derives a consistency equation for the magnetization, which has an antiferromagnetic solution. Fiz. Tverd. Tela (St. Petersburg) 39, 1594–1599 (September 1997)     

Ground-state phase diagram of the 1-D Holstein–Hubbard model

The Holstein–Hubbard model is investigated in one-dimension at half filling employing a series of unitary transformations taking into account the coherence and correlation of phonons. To treat the phonon subsystem more accurately a new squeezing transformation is introduced to incorporate the electron-density-dependent onsite phonon correlations to lower the energy further. The effective electronic Hamiltonian is next obtained by averaging the transformed Hamiltonian with respect to the zero-phonon state and the resulting effective electronic Hamiltonian is solved exactly using the method of Bethe ansatz. Finally the ground state is obtained by minimizing the energy with respect to all the variational parameters. The present method gives better results for the ground state energy of the system and also suggests the existence of a wider intermediate metallic phase at the charge-density-wave–spin-density-wave crossover region, which was first predicted by Takada and Chatterjee and later supported by Krishna and Chatterjee.     

Variational pair theory of the attractive and extended Hubbard model ind-dimensions

We present a variational approach for treating the Hubbard Hamiltonian in one, two and three dimensions. It is based on 2M-fermion wavefunctions which are allowed to form correlated spin-singlet pairs. Expressions for the ground state energy and correlation functions are derived in terms of general pair coefficient functions. The presented approach offers a convenient starting point for improved variational treatments that allow to include different specific types of pair correlations. We present first applications to the attractive and to the extended Hubbard model using a very simple ansatz for the pair coefficient functions. The ground state energy, chemical potential, order parameter, momentum distribution as well as spin-spin and density-density correlation functions follow from a system of coupled nonlinear equations that has to be solved selfconsistently. All quantities are given for arbitrary band-filling in one, two and three dimensions. Our results are compared with those of other approximations and for the one-dimensional case with the exact results of Krivnov and Ovchinnikov.     

Gapless Excitation above a Domain Wall Ground State in a Flat-Band Hubbard Model

We construct a set of exact ground states with a localized ferromagnetic domain wall and with an extended spiral structure in a deformed flat-band Hubbard model in arbitrary dimensions. We show the uniqueness of the ground state for the half-filled lowest band in a fixed magnetization subspace. The ground states with these structures are degenerate with all-spin-up or all-spin-down states under the open boundary condition. We represent a spin one-point function in terms of local electron number density, and find the domain wall structure in our model. We show the existence of gapless excitations above a domain wall ground state in dimensions higher than one. On the other hand, under the periodic boundary condition, the ground state is the all-spin-up or all-spin-down state. We show that the spin-wave excitation above the all-spin-up or -down state has an energy gap because of the anisotropy     

Non perturbative calculations for three particles in a linear chain within the generalized Hubbard model

A real-space method has been introduced to study the pairing problem within the generalized Hubbard Hamiltonian. This method includes the bond-charge interaction term as an extension of the previously proposed mapping method [1] for the Hubbard model. The generalization of the method is based on mapping the correlated many-body problem onto an equivalent site- and bond-impurity tight-binding one in a higher dimensional space, where the problem can be solved exactly. In a one-dimensional lattice, we analyzed the three particle correlation by calculating the binding energy at the ground state, using different values of the bond-charge, the on-site (U) and the nearest-neighbor (V) interactions. A pairing asymmetry is found between electrons and holes for the generalized hopping amplitude, where the hole pairing is not always easier than the electron case. For some special values of the hopping parameters and for all kinds of interactions in the Hubbard Hamiltonian, an analytical solution is obtained. Received 21 January 2000 and Received in final form 18 July 2000     

Magnetic transitions in strong coupling expansions for nearly degenerate states

A strong coupling expansion for a two‐band Hubbard model on two sites with nearly degenerate states is considered. A comparative analysis is performed for different schemes of perturbation theory which are applicable to systems with nearly degenerate states. A fourth order approach which builds on a four‐dimensional low‐energy subspace with nearly degenerate states captures accurately the transition from an antiferromagnetic to a ferromagnetic ground state at large on‐site Coulomb interaction.     

Local approach study of electron correlation effects in the Hubbard model

A variational method which corrects the one-electron ground state locally is applied to study electron correlation effects in the Hubbard model. A two-site cluster approximation is used to calculate the ground state energy functional. For the linear chain and for number of electrons per site up to 0.6, the approximation yields more than 80% of the exact results of Lieb and Wu for the ground state energy. Results for higher dimensional systems are also presented.     

Degenerate perturbation theory and its application to the Hubbard model

Projection operators are incorporated in the canonical transformation to derive an analytical infinite series of a degenerate perturbation expansion. The theory is used to calculate the ground state energy of a half-filled s-band Hubbard model to seventh order.     

Magnetism and phase separation in the ground state of the Hubbard model

We discuss the ground state magnetic phase diagram of the Hubbard model off half filling within the dynamical mean-field theory. The effective single-impurity Anderson model is solved by Wilson's numerical renormalization group calculations, adapted to symmetry broken phases. We find a phase separated, antiferromagnetic state up to a critical doping for small and intermediate values of U, but could not stabilize a Néel state for large U and finite doping. At very large U, the phase diagram exhibits an island with a ferromagnetic ground state. Spectral properties in the ordered phases are discussed. Received 9 January 2002 Published online 25 June 2002     

Hubbard模型的局域方法近似

本文基于同一格点的电子相关和最近邻格点间的电荷相关及自旋相关,把局域方法的级数展开用于Hubbard模型。和通常的二阶计算不同,我们在计算中保留了项。比较这两种不同计算方法所得到的结果,发现在U较大时,项对顺磁相的相关能、基态能量、局域磁矩和由局域磁矩引起的反铁磁极化均有不可忽略的修正。要准确计及电子相关效应,还需通过作更高阶展开,以考察级数的收敛性。 关键词：     

Can a Metal-Insulator Transition Induce s-Wave Superconductivity?

A recent paper of Capone et al. has studied an extended Hubbard model, in which local orbital degrees of freedom allow an even integer occupation at each site. A strong local repulsion U triggers a metal-insulator transition. Within a DMFT numerical analysis they show that when the ground state is a singlet a pocket of s-wave superconductivity appears in the vicinity of the Mott transition, with a strongly enhanced superconducting gap. A qualitative understanding of their result is proposed, and suggestions are made of possible systems in which this beautiful effect might be searched.     

On the alloy analogy approximation of the hubbard Hamiltonian

It is not well established that the ground state of the Hubbard Hamiltonian is not always paramagnetic. It is also well established that the ground state of the alloy analogy approximation of the non-degenerate Hubbard Hamiltonian is always paramagnetic. It has been claimed on the other hand that the ground state of the alloy analogy approximation of the doubly degenerate Hubbard Hamiltonian is not always paramagnetic. We show in this article that this last statement is not fully proved. Contradictory results are in fact obtained, depending upon the physical quantity one computes: total energy calculations have indeed been reported showing a magnetic instability while we prove here that magnetic susceptibility calculations do not. We conclude therefore that the ground state of the alloy analogy approximation of the doubly degenerate Hubbard Hamiltonian is not known at the present time.     

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.     

Quasi‐particle peak due to magnetic order in strongly correlated electron systems

We study the electron spectral function of the antiferromagnetically ordered phase of the three dimensional Hubbard model, using recently formulated low‐energy theory based on the 2D half‐filled Hubbard model which describes both collective spin and charge fluctuations for arbitrary value of the Coulomb repulsion U. The model then is solved by a saddle‐point approximation within the CP¹ representation for the Neel field. The single‐particle properties are obtained by writing the fermion field in terms of a U(1) phase, Schwinger boson SU(2) fields and a pseudofermion variables. We demonstrate that the appearance of a sharp peak in the electron spectral function in the antiferromagnetic state points to the emergence of the bosonic mode, which is associated with spin ordering.     

Energy convexity as a consequence of decoherence and pair-extensive interactions in many-electron systems

Using the concept of self-entanglement, through which a pure state constructed in an augmented Hilbert space can describe a mixed state and through which the effects of physical decoherence can be mapped onto systems separated by an infinite distance, with the role of environmental states assumed by system states in disjoint Hilbert spaces, we show that expectation values of Hamiltonians subscribing to decoherence and satisfying the condition of extensivity, defined in the text, obey the energy convexity relation. The analysis based on self-entanglement also leads to a surprising interpretation of the failure of the convexity relation for model Hamiltonians such as the Hubbard model: The failure is due to the existence of self-entangled states with lower energies than the ground state so that in such models decoherence, i.e., disentangling from the self-entangled states, would cost energy and disallow the observation of the state through measurement. The Hubbard model is discussed extensively in an appendix where we also discuss and resolve some of the counterarguments to the convexity relation that have been advanced in the literature.     

Single-hole state in half-filled 2D Hubbard model

Summary We have investigated the ground state of a single hole in the half-filled Hubbard model on a 2D square lattice using the coupled-cluster method. In particular we obtained an analytical expression of the hole energy dispersion function ɛ(k) which is consistent with earlier studies on thet-J model in the strong-coupling limit. An appreciable discrepancy on the hole energy bandwidth is, however, observed between the Hubbard model and thet-J model. We believe that this discrepancy is due to the absence of the three-site interaction term in thet-J model.     

Ferromagnetic Domain Wall and Spiral Ground States in One-Dimensional Deformed Flat-Band Hubbard Model

We construct a set of exact ground states with a localized ferromagnetic domain wall and an extended spiral structure in a quasi-one-dimensional deformed flat-band Hubbard model. In the case of quarter filling, we show the uniqueness of the ground state with a fixed magnetization. The ground states with these structures are degenerate with the all-spin-up and all-spin-down states. This property of the degeneracy is the same as the domain wall solutions in the XXZ Heisenberg–Ising model. We derive a useful recursion relation for the normalization of the domain wall ground state. Using this recursion relation, we discuss the convergence of the ground state expectation values of arbitrary local operators in the infinite-volume limit. In the ground state of the infinite-volume system, the translational symmetry is spontaneously broken by this structure. We prove that the cluster property holds for the domain wall ground state and excited states. We also estimate bounds of the ground state expectation values of several observables, such as one- and two-point functions of spin and electron number density.