A comprehensive numerical and analytical study of two holes doped into the 2D t-J model

We report on a detailed examination of numerical results and analytical calculations devoted to a study of two holes doped into a two-dimensional, square lattice described by the t-J model. Our exact diagonalization numerical results represent the first solution of the exact ground state of 2 holes in a 32-site lattice. Using this wave function, we have calculated several important correlation functions, notably the electron momentum distribution function and the hole-hole spatial correlation function. Further, by studying similar quantities on smaller lattices, we have managed to perform a finite-size scaling analysis. We have augmented this work by endeavouring to compare these results to the predictions of analytical work for two holes moving in an infinite lattice. This analysis relies on the canonical transformation approach formulated recently for the t-J model. From this comparison we find excellent correspondence between our numerical data and our analytical calculations. We believe that this agreement is an important step helping to justify the quasiparticle Hamiltonian, and in particular, the quasiparticle interactions, that result from the canonical transformation approach. Also, the analytical work allows us to critique the finite-size scaling ansatzes used in our analysis of the numerical data. One important feature that we can infer from this successful comparison involves the role of higher harmonics in the two-particle, d-wave symmetry bound state -- the conventional (\cos(k_x) - \cos(k_y)) term is only one of many important contributions to the d-wave symmetry pair wave function.Comment: RevTeX, 25 pages, 15 figures included. One major typo is correcte

Multi-site mean-field theory for cold bosonic atoms in optical lattices

We present a detailed derivation of a multi-site mean-field theory (MSMFT) used to describe the Mott-insulator to superfluid transition of bosonic atoms in optical lattices. The approach is based on partitioning the lattice into small clusters which are decoupled by means of a mean field approximation. This approximation invokes local superfluid order parameters defined for each of the boundary sites of the cluster. The resulting MSMFT grand potential has a non-trivial topology as a function of the various order parameters. An understanding of this topology provides two different criteria for the determination of the Mott insulator superfluid phase boundaries. We apply this formalism to $d$-dimensional hypercubic lattices in one, two and three dimensions, and demonstrate the improvement in the estimation of the phase boundaries when MSMFT is utilized for increasingly larger clusters, with the best quantitative agreement found for $d=3$. The MSMFT is then used to examine a linear dimer chain in which the on-site energies within the dimer have an energy separation of $\Delta$. This system has a complicated phase diagram within the parameter space of the model, with many distinct Mott phases separated by superfluid regions.Comment: 30 pages, 23 figures, accepted for publication in Phys. Rev.

Spin and Charge Texture around In-Plane Charge Centers in the CuO_2 planes

Recent experiments on La_2Cu_{1-x}Li_xO_4 show that although the doped holes remain localized near the substitutional Li impurities, magnetic order is rapidly suppressed. An examination of the spin texture around a bound hole in a CuO_2 plane shows that the formation of a skyrmion is favored in a wide range of parameters, as was previously proposed in the context of Sr doping. The spin texture may be observable by elastic diffuse neutron scattering, and may also have a considerable effect on NMR lineshapes.Comment: 4 pages, postscript file, hardcopy available upon request, to appear in PR

Comparison of 32-site exact diagonalization results and ARPES spectral functions for the AFM insulator Sr2CuO2Cl2Sr_2CuO_2Cl_2

We explore the success of various versions of the one-band t-J model in explaining the full spectral functions found in angle-resolved photoemission spectra for the prototypical, quasi two-dimensional, tetragonal, antiferromagnetic insulator $Sr_2CuO_2Cl_2$. After presenting arguments justifying our extraction of $A(k,\omega)$ from the experimental data, we rely on exact-diagonalization results from studies of a square 32-site lattice, the largest cluster for which such information is presently available, to perform this comparison. Our work leads us to believe that (i) a one-band model that includes hopping out to third-nearest neighbours, as well three-site, spin-dependent hopping, can indeed explain not only the dispersion relation, but also the quasiparticle lifetimes -- only in the neighbourhood of $k = (\pi/2,0)$ do we find disagreement; (ii) an energy-dependent broadening function, $\Gamma (E) = \Gamma_0 + A E$, is important in accounting for the incoherent contributions to the spectral functions.Comment: 8 pages, Revtex

Analyzing the success of T-matrix diagrammatic theories in representing a modified Hubbard model

We present a systematic study of various forms of renormalization that can be applied in the calculation of the self-energy of the Hubbard model within the T-matrix approximation. We compare the exact solutions of the attractive and repulsive Hubbard models, for linear chains of lengths up to eight sites, with all possible taxonomies of the T-matrix approximation. For the attractive Hubbard model, the success of a minimally self-consistent theory found earlier in the atomic limit (Phys. Rev. B 71, 155111 (2005)) is not maintained for finite clusters unless one is in the very strong correlation limit. For the repulsive model, in the weak correlation limit at low electronic densities -- that is, where one would expect a self-consistent T-matrix theory to be adequate -- we find the fully renormalized theory to be most successful. In our studies we employ a modified Hubbard interaction that eliminates all Hartree diagrams, an idea which was proposed earlier (Phys. Rev. B 63, 035104 (2000)).Comment: Includes modified discussion of 1st-order phase transition. Accepted for publication in J. Phys.: Condensed Matte

Pairing Correlations in a Generalized Hubbard Model for the Cuprates

Using numerical diagonalization of a 4x4 cluster, we calculate on-site s, extended s and d pairing correlation functions (PCF) in an effective generalized Hubbard model for the cuprates, with nearest-neighbor correlated hopping and next nearest-neighbor hopping t'. The vertex contributions (VC) to the PCF are significantly enhanced, relative to the t-t'-U model. The behavior of the PCF and their VC, and signatures of anomalous flux quantization, indicate superconductivity in the d-wave channel for moderate doping and in the s-wave channel for high doping and small U.Comment: 5 pages, 5 figure