Extended Variational Cluster Approximation

The variational cluster approximation (VCA) proposed by M. Potthoff {\it et al.} [Phys. Rev. Lett. {\bf 91}, 206402 (2003)] is extended to electron or spin systems with nonlocal interactions. By introducing more than one source field in the action and employing the Legendre transformation, we derive a generalized self-energy functional with stationary properties. Applying this functional to a proper reference system, we construct the extended VCA (EVCA). In the limit of continuous degrees of freedom for the reference system, EVCA can recover the cluster extension of the extended dynamical mean-field theory (EDMFT). For a system with correlated hopping, the EVCA recovers the cluster extension of the dynamical mean-field theory for correlated hopping. Using a discrete reference system composed of decoupled three-site single impurities, we test the theory for the extended Hubbard model. Quantitatively good results as compared with EDMFT are obtained. We also propose VCA (EVCA) based on clusters with periodic boundary conditions. It has the (extended) dynamical cluster approximation as the continuous limit. A number of related issues are discussed.Comment: 23 pages, 5 figures, statements about DCA corrected; published versio

The Dynamical Cluster Approximation (DCA) versus the Cellular Dynamical Mean Field Theory (CDMFT) in strongly correlated electrons systems

We are commenting on the article Phys. Rev. {\bf B 65}, 155112 (2002) by G. Biroli and G. Kotliar in which they make a comparison between two cluster techniques, the {\it Cellular Dynamical Mean Field Theory} (CDMFT) and the {\it Dynamical Cluster Approximation} (DCA). Based upon an incorrect implementation of the DCA technique in their work, they conclude that the CDMFT is a faster converging technique than the DCA. We present the correct DCA prescription for the particular model Hamiltonian studied in their article and conclude that the DCA, once implemented correctly, is a faster converging technique for the quantities averaged over the cluster. We also refer to their latest response to our comment where they argue that instead of averaging over the cluster, local observables should be calculated in the bulk of the cluster which indeed makes them converge much faster in the CDMFT than in the DCA. We however show that in their original work, the authors themselves use the cluster averaged quantities to draw their conclusions in favor of using the CDMFT over the DCA.Comment: Comment on Phys. Rev. B 65, 155112 (2002). 3 pages, 2 figure

Phase Diagram of the Hubbard Model: Beyond the Dynamical Mean Field

The Dynamical Cluster Approximation (DCA) is used to study non-local corrections to the dynamical mean field phase diagram of the two-dimensional Hubbard model. Regions of antiferromagnetic, d-wave superconducting, pseudo-gapped non-Fermi liquid, and Fermi liquid behaviors are found, in rough agreement with the generic phase diagram of the cuprates. The non-local fluctuations beyond the mean field both suppress the antiferromagnetism and mediate the superconductivity.Comment: 4 pages, 5 eps figures, submitted to PR

Efficient calculation of the antiferromagnetic phase diagram of the 3D Hubbard model

The Dynamical Cluster Approximation with Betts clusters is used to calculate the antiferromagnetic phase diagram of the 3D Hubbard model at half filling. Betts clusters are a set of periodic clusters which best reflect the properties of the lattice in the thermodynamic limit and provide an optimal finite-size scaling as a function of cluster size. Using a systematic finite-size scaling as a function of cluster space-time dimensions, we calculate the antiferromagnetic phase diagram. Our results are qualitatively consistent with the results of Staudt et al. [Eur. Phys. J. B 17 411 (2000)], but require the use of much smaller clusters: 48 compared to 1000

ARPES Spectra of the Hubbard model

We discuss spectra calculated for the 2D Hubbard model in the intermediate coupling regime with the dynamical cluster approximation, which is a non-perturbative approach. We find a crossover from a normal Fermi liquid with a Fermi surface closed around the Brillouin zone center at large doping to a non-Fermi liquid for small doping. The crossover is signalled by a splitting of the Fermi surface around the $X$ point of the 2D Brillouin zone, which eventually leads to a hole-like Fermi surface closed around the point M. The topology of the Fermi surface at low doping indicates a violation of Luttinger's theorem. We discuss different ways of presenting the spectral data to extract information about the Fermi surface. A comparison to recent experiments will be presented.Comment: 8 pages, 7 color figures, uses RevTeX

Dynamical Cluster Approximation Employing FLEX as a Cluster Solver

We employ the Dynamical Cluster Approximation (DCA) in conjunction with the Fluctuation Exchange Approximation (FLEX) to study the Hubbard model. The DCA is a technique to systematically restore the momentum conservation at the internal vertices of Feynman diagrams relinquished in the Dynamical Mean Field Approximation (DMFA). FLEX is a perturbative diagrammatic approach in which classes of Feynman diagrams are summed over analytically using geometric series. The FLEX is used as a tool to investigate the complementarity of the DCA and the finite size lattice technique with periodic boundary conditions by comparing their results for the Hubbard model. We also study the microscopic theory underlying the DCA in terms of compact (skeletal) and non-compact diagrammatic contributions to the thermodynamic potential independent of a specific model. The significant advantages of the DCA implementation in momentum space suggests the development of the same formalism for the frequency space. However, we show that such a formalism for the Matsubara frequencies at finite temperatures leads to acausal results and is not viable. However, a real frequency approach is shown to be feasible.Comment: 15 pages, 24 figures. Submitted to Physical Review B as a Regular Articl