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arXiv:cond-mat/0605181 · Physical review. B, Condensed matter

Bosonic sector of the two-dimensional Hubbard model studied within a two-pole approximation

Adolfo Avella, Ferdinando Mancini, Volodymyr Turkowski

Published Mar 26, 2003• 23 citations
arXivHTMLPDF

Abstract

The charge and spin dynamics of the two-dimensional Hubbard model in the paramagnetic phase is first studied by means of the two-pole approximation within the framework of the composite operator method. The fully self-consistent scheme requires: no decoupling, the fulfillment of both Pauli principle and hydrodynamic constraints, the simultaneous solution of fermionic and bosonic sectors, and a very rich momentum dependence of the response functions. The temperature and momentum dependencies, as well as the dependency on the Coulomb repulsion strength and the filling, of the calculated charge and spin susceptibilities and correlation functions are in very good agreement with the numerical calculations present in the literature.

DOI
10.1103/physrevb.67.115123

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The charge and spin dynamics of the two-dimensional Hubbard model in the paramagnetic phase is first studied by means of the two-pole approximation within the framework of the composite operator method. The fully self-consistent scheme requires: no decoupling, the fulfillment of both Pauli principle and hydrodynamic constraints, the simultaneous solution of fermionic and bosonic sectors, and a very rich momentum dependence of the response functions. The temperature and momentum dependencies, as well as the dependency on the Coulomb repulsion strength and the filling, of the calculated charge and spin susceptibilities and correlation functions are in very good agreement with the numerical calculations present in the literature.
The Hubbard model is studied within the Composite Operator Method framework in a 4-pole approximation. The operatorial basis is chosen according to both the hierarchy of equations of motion and the exact solution of the model reduced to the minimal cluster (2 sites) where all Hamiltonian terms are still active. Such a recipe amounts to include into the basis not only the two Hubbard operators, which usually take care of the scale of energy related to the on-site Coulomb repulsion U , but also two other non-local operators describing the Hubbard operators dressed by charge, spin and pair fluctuations on the nearest-neighboring sites and addressing the dynamically generated scale of energy related to the exchange J = 4 t 2 / U . The calculation framework is outlined and a very first comparison to numerical simulations, showing very good qualitative and quantitative agreement, is reported. As reference, the results in the 2-pole approximation are also reported and the differences discussed.
We present a comprehensive study of the two-dimensional one-band Hubbard model applying the spin-rotation-invariant slave-boson method. We utilize a spiral magnetic mean field and fluctuations around a paramagnetic mean field to determine the magnetic phase diagram and find the two approaches to be in good agreement. Apart from the commensurate phases characterized by ordering wave vectors $\mathbf{Q}=(\ensuremath{\pi},\ensuremath{\pi})$, $(0,\ensuremath{\pi})$, and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q)\mathbf{Q}=(Q,Q)Q=(Q,Q) and $(Q,\ensuremath{\pi})$ vary continuously with filling, interaction strength, or temperature. The mean-field quantities magnetization and effective mass are found to change discontinuously at the phase boundaries separating the (Q,Q)(Q,Q)(Q,Q) and $(Q,\ensuremath{\pi})$ phases, indicating a first-order transition. The band structure and Fermi surface is shown in selected cases. The dynamic spin and charge susceptibilities as well as the structure factors are calculated and discussed, including the emergence of collective modes of the zero sound and Mott insulator type. The dynamical conductivity is calculated in dependence of doping, interaction strength, and temperature. Finally, a temperature-interaction strength phase diagram is established.
We have investigated the antiferromagnetic phase of two-dimensional (2D), three-dimensional (3D), and extended Hubbard models on a bipartite cubic lattice by means of the composite operator method within a two-pole approximation. This approach yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of both the model and the algebra. The complete phase diagram, as regards the antiferromagnetic and paramagnetic phases, has been drawn. We first reported, within a pole approximation, three kinds of transitions at half-filling: Mott-Hubbard, Mott-Heisenberg, and Heisenberg transitions. We have also found a metal-insulator transition, driven by doping, within the antiferromagnetic phase. This latter is restricted to a very small region near half-filling, and has, in contrast to what has been found by similar approaches, a finite critical Coulomb interaction as a lower bound at half-filling. Finally, it is worth noting that our antiferromagnetic gap has two independent components: one due to the antiferromagnetic correlations, and another coming from the Mott-Hubbard mechanism.
We present a comprehensive study of the 2D one-band Hubbard model applying the spin rotation invariant slave-boson method. We utilize a spiral magnetic mean field and fluctuations around a paramagnetic mean field to determine the magnetic phase diagram and find the two approaches to be in good agreement. Apart from the commensurate phases characterized by ordering wave vectors Q=(π,π),(0,π), and (0,0) we find incommensurate phases where the ordering wave vectors Q=(Q,Q), and (Q,π) vary continuously with filling, interaction strength or temperature. The mean field quantities magnetization and effective mass are found to change discontinuously at the phase boundaries separating the (Q,Q) and (Q,π) phases, indicating a first order transition. The band structure and Fermi surface is shown in selected cases. The dynamic spin and charge susceptibilities as well as the structure factors are calculated and discussed, including the emergence of collective modes of the zero sound and Mott insulator type. The dynamical conductivity is calculated in dependence of doping, interaction strength and temperature. Finally, a temperature-interaction strength phase diagram is established.
A concise general expression for the dynamical charge susceptibility of the Hubbard model is presented. The results are obtained from the spin-rotation-invariant slave-boson theory, whose paramagnetic saddle point corresponds to Gutzwiller's variational approximation. The charge structure factor and charge susceptibility are calculated for a wide range of interactions and temperatures and are compared thoroughly with the available quantum Monte Carlo and variational Monte Carlo results for the one-dimensional Hubbard model. The comparison shows reasonable agreement. All the calculations are done in a totally self-consistent way, without adjustable parameters.
We reanalyze the Hubbard-I approximation by showing that it is equivalent to an effective Hamiltonian describing Fermionic charge fluctuations, which can be solved by Bogoliubov transformation. As the most important correction in the limit of large U and weak spin correlations we augment this Hamiltonian by further effective particles, which describe composite objects of a Fermionic charge fluctuation and a spin-, density-, or $\ensuremath{\eta}$ excitation. The scheme is valid for positive and negative U. We present results for the single particle Green's function for the two-dimensional Hubbard model with and without ${t}^{\ensuremath{'}}$ and ${t}^{\ensuremath{''}}$ terms, and compare to quantum Monte-Carlo results for the paramagnetic phase. The overall agreement is significantly improved over the conventional Hubbard-I or two-pole approximation.