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arXiv:1103.0017 · New Journal of Physics

Dynamical mean-field theory for bosons

Peter Anders, Emanuel Gull, Lode Pollet, Matthias Troyer, Philipp Werner

Published Jul 29, 2011• 62 citations
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Abstract

We discuss the recently developed bosonic dynamical mean-field theory (B-DMFT) framework, which maps a bosonic lattice model onto the self-consistent solution of a bosonic impurity model with coupling to a reservoir of normal and condensed bosons. The effective impurity action is derived in several ways: (i) as an approximation to the kinetic energy functional of the lattice problem, (ii) using a cavity approach and (iii) using an effective medium approach based on adding a one-loop correction to the self-consistently defined condensate. To solve the impurity problem, we use a continuous-time Monte Carlo algorithm based on the sampling of a perturbation expansion in the hybridization functions and the condensate wave function. As applications of the formalism, we present finite-temperature B-DMFT phase diagrams for the bosonic Hubbard model on a three-dimensional (3D) cubic and a 2D square lattice, the condensate order parameter as a function of chemical potential, critical exponents for the condensate, the approach to the weakly interacting Bose gas regime for weak repulsions and the kinetic energy as a function of temperature.

DOI
10.1088/1367-2630/13/7/075013

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We discuss the recently developed bosonic dynamical mean-field theory (B-DMFT) framework, which maps a bosonic lattice model onto the self-consistent solution of a bosonic impurity model with coupling to a reservoir of normal and condensed bosons. The effective impurity action is derived in several ways: (i) as an approximation to the kinetic energy functional of the lattice problem, (ii) using a cavity approach and (iii) using an effective medium approach based on adding a one-loop correction to the self-consistently defined condensate. To solve the impurity problem, we use a continuous-time Monte Carlo algorithm based on the sampling of a perturbation expansion in the hybridization functions and the condensate wave function. As applications of the formalism, we present finite-temperature B-DMFT phase diagrams for the bosonic Hubbard model on a three-dimensional (3D) cubic and a 2D square lattice, the condensate order parameter as a function of chemical potential, critical exponents for the condensate, the approach to the weakly interacting Bose gas regime for weak repulsions and the kinetic energy as a function of temperature.
We formulate a bosonic dynamical mean-field theory (B-DMFT) which provides a comprehensive, thermodynamically consistent framework for the theoretical investigation of correlated lattice bosons. The B-DMFT is applicable for arbitrary values of the coupling parameters and temperature and becomes exact in the limit of high spatial dimensions ddd or coordination number ZZZ of the lattice. In contrast to its fermionic counterpart, the construction of the B-DMFT requires different scalings of the hopping amplitudes with ZZZ depending on whether the bosons are in their normal state or in the Bose-Einstein condensate (BEC). A detailed discussion of how this conceptual problem can be overcome by performing the scaling in the action rather than in the Hamiltonian itself is presented. The B-DMFT treats normal and condensed bosons on equal footing and thus includes the effects caused by their dynamic coupling. It reproduces all previously investigated limits in parameter space, such as the Beliaev-Popov and Hartree-Fock-Bogoliubov approximations, and generalizes the existing mean-field theories of interacting bosons. The self-consistency equations of the B-DMFT are those of a bosonic single-impurity coupled to two reservoirs corresponding to bosons in the condensate and in the normal state, respectively. We employ the B-DMFT to solve a model of itinerant and localized, interacting bosons analytically. The local correlations are found to enhance the condensate density and the BEC transition temperature TBEC{T}_{\text{BEC}}TBEC​. This effect may be used experimentally to increase TBEC{T}_{\text{BEC}}TBEC​ of bosonic atoms in optical lattices.
We present the effective action and self-consistency equations for the bosonic dynamical mean field approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions. To solve the bosonic dynamical mean field equations, we use a continuous-time Monte Carlo method for bosonic impurity models based on a diagrammatic expansion in the hybridization and condensate coupling. This method is readily generalized to bosonic mixtures, spinful bosons, and Bose-Fermi mixtures.
The dynamical mean-field theory (DMFT), which is successful in the study of strongly correlated fermions, was recently extended to boson systems [K. Byczuk and D. Vollhardt, Phys. Rev. B 77, 235106 (2008)]. In this paper, we employ the bosonic DMFT to study the Bose-Hubbard model which describes on-site interacting bosons in a lattice. Using exact diagonalization as the impurity solver, we get the DMFT solutions for the Green's function, the occupation density, as well as the condensate fraction on a Bethe lattice. Various phases are identified: the Mott insulator, the Bose-Einstein condensed (BEC) phase, and the normal phase. At finite temperatures, we obtain the crossover between the Mott-type regime and the normal phase, as well as the BEC-to-normal phase transition. Phase diagrams on the $\ensuremath{\mu}/U\text{\ensuremath{-}}\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{t}/U$ plane and on the $T/U\text{\ensuremath{-}}\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{t}/U$ plane are produced ($\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{t}$ is the scaled hopping amplitude). We compare our results with the previous ones, and discuss the implication of these results to experiments.
We calculate the momentum dependent spectral function of the Bose-Hubbard model on a simple cubic lattice in three dimensions within the bosonic dynamical mean-field theory (B-DMFT). The continuous-time quantum Monte Carlo method is used to solve the self-consistent B-DMFT equations together with the maximum entropy method for the analytic continuation to real frequencies. Results for weak, intermediate, and strong interactions are presented. In the limit of weak and strong interactions very good agreement with results obtained by perturbation theory is found. By contrast, at intermediate interactions the results differ significantly, indicating that in this regime perturbative methods fail to describe the dynamics of interacting bosons.
We develop the nonequilibrium extension of bosonic dynamical mean-field theory and a Nambureal-time strong-coupling perturbative impurity solver. In contrast to Gutzwiller mean-field theory andstrong-coupling perturbative approaches, nonequilibrium bosonic dynamical mean-field theory capturesnot only dynamical transitions but also damping and thermalization effects at finite temperature. We applythe formalism to quenches in the Bose-Hubbard model, starting from both the normal and the Bose-condensed phases. Depending on the parameter regime, one observes qualitatively different dynamicalproperties, such as rapid thermalization, trapping in metastable superfluid or normal states, as well aslong-lived or strongly damped amplitude oscillations. We summarize our results in nonequilibrium“phase diagrams” that map out the different dynamical regimes.
We derive the self-energy functional theory for bosonic lattice systems with broken U(1) symmetry by parametrizing the bosonic Baym-Kadanoff effective action in terms of one- and two-point self-energies. The formalism goes beyond other approximate methods such as the pseudoparticle variational cluster approximation, the cluster composite boson mapping, and the Bogoliubov+U theory. It simplifies to bosonic dynamical-mean-field theory when constraining to local fields, whereas when neglecting kinetic contributions of noncondensed bosons, it reduces to the static mean-field approximation. To benchmark the theory, we study the Bose-Hubbard model on the two- and three-dimensional cubic lattice, comparing with exact results from path integral quantum Monte Carlo. We also study the frustrated square lattice with next-nearest-neighbor hopping, which is beyond the reach of Monte Carlo simulations. A reference system comprising a single bosonic state, corresponding to three variational parameters, is sufficient to quantitatively describe phase boundaries and thermodynamical observables, while qualitatively capturing the spectral functions, as well as the enhancement of kinetic fluctuations in the frustrated case. On the basis of these findings, we propose self-energy functional theory as the omnibus framework for treating bosonic lattice models, in particular, in cases where path integral quantum Monte Carlo methods suffer from severe sign problems (e.g., in the presence of nontrivial gauge fields or frustration). Self-energy functional theory enables the construction of diagrammatically sound approximations that are quantitatively precise and controlled in the number of optimization parameters but nevertheless remain computable by modest means.