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

Theory of electron-hole asymmetry in doped {\em CuO2_2} planes

The magnetic phase diagrams, and other physical characteristics, of the hole- doped {\em La$_{2-x}$Sr$_x$CuO$_4$} and electron-doped {\em Nd$_{2-x}$Ce$_x$ CuO$_4$} high-temperature superconductors are profoundly different. Starting with the $t-t^{\prime}-J$ model, the spin distortions and the spatial distri- bution of carriers for the multiply-doped systems will be related to the diffe- rent ground states' single-hole quasiparticles. The low doping limit of the hole-doped material corresponds to $\vec k = (\pi/2,\pi/2)$ quasiparticles, states that generate so-called Shraiman-Siggia long-ranged dipolar spin distor- tions via backflow. We propose that for the electron-doped materials the single- hole ground state corresponds to $\vec k = (\pi,0)$ quasiparticles; we show that the spin distortions generated by such carriers are short-ranged. Then, we demonstrate the effect of this single-carrier difference in many-carrier ground states via exact diagonalization results by evaluating $S(\vec q)$ for up to 4 carriers in small clusters. Also, the different single-carrier quasiparticles generate important differences in the spatial distributions: for the hole-doped material the quasiparticles tend to stay far apart from one another, whereas for the electron-doped material we find tendencies consistent with the clustering of carriers, and possibly of low-energy fluctuations into an electronic phase separated state. Lastly, we propose the extrapolation of an approach based on the $t-t^{\prime}-J$ model to the hole-doped 123 system.Comment: 27 pages, revtex 3.0, 6 Postscript Figures; to be published in Phys. Rev. B, Nov. 1, 199

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.

Optical conductivity of a metal-insulator transition for the Anderson-Hubbard model in 3 dimensions away from 1/2 filling

We have completed a numerical investigation of the Anderson-Hubbard model for three-dimensional simple cubic lattices using a real-space self-consistent Hartree-Fock decoupling approximation for the Hubbard interaction. In this formulation we treat the spatial disorder exactly, and therefore we account for effects arising from localization physics. We have examined the model for electronic densities well away 1/2 filling, thereby avoiding the physics of a Mott insulator. Several recent studies have made clear that the combined effects of electronic interactions and spatial disorder can give rise to a suppression of the electronic density of states, and a subsequent metal-insulator transition can occur. We augment such studies by calculating the ac conductivity for such systems. Our numerical results show that weak interactions enhance the density of states at the Fermi level and the low-frequency conductivity, there are no local magnetic moments, and the ac conductivity is Drude-like. However, with a large enough disorder strength and larger interactions the density of states at the Fermi level and the low-frequency conductivity are both suppressed, the conductivity becomes non-Drude-like, and these phenomena are accompanied by the presence of local magnetic moments. The low-frequency conductivity changes from a sigma-sigma_dc omega^{1/2} behaviour in the metallic phase, to a sigma omega^2 behaviour in the nonmetallic regime. Our numerical results show that the formation of magnetic moments is essential to the suppression of the density of states at the Fermi level, and therefore essential to the metal-insulator transition

Application of a multi-site mean-field theory to the disordered Bose-Hubbard model

We present a multi-site formulation of mean-field theory applied to the disordered Bose-Hubbard model. In this approach the lattice is partitioned into clusters, each isolated cluster being treated exactly, with inter-cluster hopping being treated approximately. The theory allows for the possibility of a different superfluid order parameter at every site in the lattice, such as what has been used in previously published site-decoupled mean-field theories, but a multi-site formulation also allows for the inclusion of spatial correlations allowing us, e.g., to calculate the correlation length (over the length scale of each cluster). We present our numerical results for a two-dimensional system. This theory is shown to produce a phase diagram in which the stability of the Mott insulator phase is larger than that predicted by site-decoupled single-site mean-field theory. Two different methods are given for the identification of the Bose glass-to-superfluid transition, one an approximation based on the behaviour of the condensate fraction, and one of which relies on obtaining the spatial variation of the order parameter correlation. The relation of our results to a recent proposal that both transitions are non self-averaging is discussed.Comment: Accepted for publication in Physical Review

Critiquing Variational Theories of the Anderson-Hubbard Model: Real-Space Self-Consistent Hartree-Fock Solutions

A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave functions. In such an approach the disorder is treated exactly while the correlations are treated approximately. In this report we critique the success of this approximation by making comparisons between such solutions and the exact wave functions for the Anderson-Hubbard model. Due to the sizes of the complete Hilbert spaces for these problems, the comparisons are restricted to small one-dimensional chains, up to ten sites, and a 4x4 two-dimensional cluster, and at 1/2 filling these Hilbert spaces contain about 63,500 and 166 million states, respectively. We have completed these calculations both at and away from 1/2 filling. This approximation is based on a variational approach which minimizes the Hartree-Fock energy, and we have completed comparisons of the exact and Hartree-Fock energies. However, in order to assess the success of this approximation in reproducing ground-state correlations we have completed comparisons of the local charge and spin correlations, including the calculation of the overlap of the Hartree-Fock wave functions with those of the exact solutions. We find that this approximation reproduces the local charge densities to quite a high accuracy, but that the local spin correlations, as represented by , are not as well represented. In addition to these comparisons, we discuss the properties of the spin degrees of freedom in the HF approximation, and where in the disorder-interaction phase diagram such physics may be important

Dynamical properties of the single--hole tt--JJ model on a 32--site square lattice

We present results of an exact diagonalization calculation of the spectral function $A(\bf k, \omega)$ for a single hole described by the $t$--$J$ model propagating on a 32--site square cluster. The minimum energy state is found at a crystal momentum ${\bf k} = ({\pi\over 2}, {\pi\over 2})$, consistent with theory, and our measured dispersion relation agrees well with that determined using the self--consistent Born approximation. In contrast to smaller cluster studies, our spectra show no evidence of string resonances. We also make a qualitative comparison of the variation of the spectral weight in various regions of the first Brillouin zone with recent ARPES data.Comment: 10 pages, 5 postscript figures include

Enhanced Bound State Formation in Two Dimensions via Stripe-Like Hopping Anisotropies

We have investigated two-electron bound state formation in a square two-dimensional t-J-U model with hopping anisotropies for zero electron density; these anisotropies are introduced to mimic the hopping energies similar to those expected in stripe-like arrangements of holes and spins found in various transition metal oxides. In this report we provide analytical solutions to this problem, and thus demonstrate that bound-state formation occurs at a critical exchange coupling, J_c, that decreases to zero in the limit of extreme hopping anisotropy t_y/t_x -> 0. This result should be contrasted with J_c/t = 2 for either a one-dimensional chain, or a two-dimensional plane with isotropic hopping. Most importantly, this behaviour is found to be qualitatively similar to that of two electrons on the two-leg ladder problem in the limit of t_interchain/t_intrachain -> 0. Using the latter result as guidance, we have evaluated the pair correlation function, thus determining that the bound state corresponds to one electron moving along one chain, with the second electron moving along the opposite chain, similar to two electrons confined to move along parallel, neighbouring, metallic stripes. We emphasize that the above results are not restricted to the zero density limit - we have completed an exact diagonalization study of two holes in a 12 X 2 two-leg ladder described by the t-J model and have found that the above-mentioned lowering of the binding energy with hopping anisotropy persists near half filling.Comment: 6 pages, 3 eps figure