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Europhysics Letters (EPL)

Restricted path integral approach to the doped Hubbard model

Edwin Langmann A, Mats Wallin

Published Jan 20, 1997• 6 citations
Publisher

Abstract

We present a restricted path integral approach to the 2D repulsive Hubbard model. It amounts to evaluating the partition function by restricting the summation over states to a small subclass and generalizes mean-field theory. Analyzing the simplest of these approximations, we find a mixed phase of fermions with local antiferromagnetic correlations coexisting with conventional metallic fermions. This mixed phase persists in a big parameter regime. We also discuss a refinement of our approximation which suggests simple explanations of several peculiar experimental features of HTSC.

DOI
10.1209/epl/i1997-00134-y

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We present a restricted path integral approach to the 2D repulsive Hubbard model. It amounts to evaluating the partition function by restricting the summation over states to a small subclass and generalizes mean-field theory. Analyzing the simplest of these approximations, we find a mixed phase of fermions with local antiferromagnetic correlations coexisting with conventional metallic fermions. This mixed phase persists in a big parameter regime. We also discuss a refinement of our approximation which suggests simple explanations of several peculiar experimental features of HTSC.
We present a restricted path integral approach to the two-dimensional and three-dimensional repulsive Hubbard model. In this approach the partition function is approximated by restricting the summation over all states to a (small) subclass that is chosen so as to well represent the important states. This procedure generalizes mean-field theory and can be systematically improved by including more states or fluctuations. We analyze in detail the simplest of these approximations, which corresponds to summing over states with local antiferromagnetic (AF) order. If in the states considered the AF order changes sufficiently little in space and time, the path integral becomes a finite-dimensional integral for which the saddle point evaluation is exact. This leads to generalized mean-field equations allowing for the possibility of more than one relevant saddle point. In a big parameter regime (both in temperature and filling), we find that this integral has two relevant saddle points, one corresponding to finite AF order and the other without. These degenerate saddle points describe a phase of AF ordered fermions coexisting with free, metallic fermions. We argue that this mixed phase is a simple mean-field description of a variety of possible inhomogeneous states, appropriate on length scales where these states appear homogeneous. We sketch systematic refinements of this approximation, which can give more detailed descriptions of the system.
In the generalized-tJtJtJ model the effect of a large local Coulomb repulsion is accounted for by restricting the Hilbert space to states with at most one electron per site. In this case the electronic system can be viewed in terms of holes hopping in a lattice of correlated spins, where holes are the carriers doped into the half-filled Mott insulator. To explicitly capture the interplay between the hole dynamics and local spin correlations we derive a formulation of the generalized-tJtJtJ model where doped carrier operators are used instead of the original electron operators. This ``doped carrier'' formulation provides a starting point to address doped spin systems, and we use it to develop a fully fermionic, mean-field description of doped Mott insulators. This mean-field approach reveals a mechanism for superconductivity---namely, spinon-dopon mixing---and we apply it to the $t{t}^{\ensuremath{'}}{t}^{\ensuremath{''}}J$ model as of interest to high-temperature superconductors. In particular, we use model parameters borrowed from band calculations and from fitting angle-resolved photoemission spectroscopy data to obtain a mean-field phase diagram that reproduces semiquantitatively that of hole- and electron-doped cuprates. The mean-field approach hereby presented accounts for the local antiferromagnetic and ddd-wave superconducting correlations which, we show, provide a rational for the role of ${t}^{\ensuremath{'}}$ and ${t}^{\ensuremath{''}}$ in strengthening superconductivity as expected by experiments and other theoretical approaches. As we discuss how ttt, ${t}^{\ensuremath{'}}$, and ${t}^{\ensuremath{''}}$ affect the phase diagram, we also comment on possible scenarios to understand the differences between as-grown and oxygen-reduced electron-doped samples.
We determine the spin and charge orders in the ground state of the doped two-dimensional (2D) Hubbard model in its simplest form, namely with only nearest-neighbor hopping and on-site repulsion. At half-filling, the ground state is known to be an antiferromagnetic Mott insulator. Doping Mott insulators is believed to be relevant to the superconductivity observed in cuprates. A variety of candidates have been proposed for the ground state of the doped 2D Hubbard model. A recent work employing a combination of several state-of-the-art numerical many-body methods established the stripe order as the ground state near 1/81/81/8 doping at strong interactions. In this paper, we apply one of these methods, the cutting-edge constrained-path auxiliary field quantum Monte Carlo (AFQMC) method with self-consistently optimized gauge constraints, to systematically study the model as a function of doping and interaction strength. With careful finite size scaling based on large-scale computations, we map out the ground state phase diagram in terms of its spin and charge order. We find that modulated antiferromagnetic order persists from near half-filling to about 1/51/51/5 doping. At lower interaction strengths or larger doping, these ordered states are best described as spin-density waves, with essentially delocalized holes and modest oscillations in charge correlations. When the charge correlations are stronger (large interaction or small doping), they are best described as stripe states, with the holes more localized near the node in the antiferromagnetic spin order. In both cases, we find that the wavelength in the charge correlations is consistent with so-called filled stripes.
We explore the two-dimensional extended Hubbard model on the triangular lattice in the high doping regime. On-site and nearest-neighbour repulsive interactions are treated in a non-perturbative way by means of Extended Dynamical Mean Field Theory. We compute the low-temperature phase diagram, displaying a metallic phase and a symmetry-broken phase for strong intersite repulsions. We describe the correlation effects on both single-particle and two-particle observables in the metallic phase. Whereas single-particle spectra feature a Hubbard satellite typical of strongly correlated systems, local susceptibilities remain close to their non-interacting limit, even for large on-site repulsions. We argue that this behaviour is typical of the strongly doped case. We also report a region in parameter space with negative static local screening.
The application of functional integral methods and the Hubbard--Stratonovich transformation to the Hubbard model is discussed. For the attractive case, using a simple gauge transformation of the superconducting order parameter field, the effective action for the low-energy phase excitations is derived. Inclusion of the electromagnetic field is straightforward. For the repulsive case at half--filling use of a fluctuating spin reference frame allows a derivation of the effective nonlinear sigma model for arbitrary coupling strength U. Results for the spin-wave velocity and the spin stiffness are obtained for arbitrary U. Away from half--filling, at large U an effective action for doped fermions and the spins is found which is related to the slave fermion formulation of the correlated fermion problem. The formalism is generalized to include the full SU(2)xSU(2) symmetry of the Hubbard model. This allows the derivation of a Ginzburg-Landau like theory that includes both particle-hole and particle-particle excitations. (paper at the NATO workshop on the Hubbard model, San Sebastian, Spain, oct. 1993)
We calculate the excitation spectrum and the response functions of the textures induced by doping in the half-filled Hubbard model. Localized states appear within the antiferromagnetic gap. The spin-wave spectrum is distorted, and shifted towards lower energies; its total strength is reduced. The antiferromagnetic peak at (\ensuremath{\pi},\ensuremath{\pi}) is broadened and moves to higher energies. Charge excitations appear at low energies and mix with the spin waves. Their polarization induces screened interactions that can overcome the initial, repulsive, ones. The general features of the results cannot be described in conventional-Fermi-liquid or, alternatively, insulator terms.