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Physical Review Letters

Strong-coupling field theory and soliton doping in a one-dimensional copper-oxide model

Victor J. Emery

Published Aug 20, 1990• 37 citations
Publisher

Abstract

A field theory for the strong-coupling limit of a one-dimensional copper-oxide model is obtained from a weak-coupling point of view. Complementary aspects of strong correlations and band motion are incorporated in a natural way. Doping induces soliton or antisoliton charge excitations into a state with explicity broken chiral symmetry. The solitons or antisolitons have divergent superconductive pairing-correlation functions and various properties reminiscent of doped holes or electrons in high-temperature superconductors.

DOI
10.1103/physrevlett.65.1076

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A field theory for the strong-coupling limit of a one-dimensional copper-oxide model is obtained from a weak-coupling point of view. Complementary aspects of strong correlations and band motion are incorporated in a natural way. Doping induces soliton or antisoliton charge excitations into a state with explicity broken chiral symmetry. The solitons or antisolitons have divergent superconductive pairing-correlation functions and various properties reminiscent of doped holes or electrons in high-temperature superconductors.
We carry out a systematic study of collective spin and charge excitations for the canonical single-band Hubbard, t–J–U, and t–J models of high-temperature copper-oxide superconductors, both on electron- and hole-doped side of the phase diagram. A~recently developed variational wave function approach, combined with the expansion in the inverse number of fermionic flavors, is employed. All three models exhibit a substantial electron–hole asymmetry of magnetic excitations, with a robust paramagnon emerging for hole-doping, in agreement with available resonant inelastic X-ray scattering data for the cuprates. The t–J model yields additional high-energy peak in the magnetic spectrum that is not unambiguously identified in spectroscopy. For all considered Hamiltonians, the dynamical charge susceptibility contains a coherent mode for both hole- and electron doping, with overall bandwidth renormalization controlled by the on-site Coulomb repulsion. Away from the strong-coupling limit, the antiferromagnetic ordering tendency is more pronounced on the electron-doped side of the phase diagram.
The three-band model relevant to high-temperature copper-oxide superconductors is solved using single-site dynamical mean field theory and a tight-binding parametrization of the copper and oxygen bands. For a band filling of one hole per unit cell the metal/charge-transfer-insulator phase diagram is determined. The electron spectral function, optical conductivity, and quasiparticle mass enhancement are computed as functions of electron and hole doping for parameters such that at one hole per cell the paramagnetic phase is insulating and for parameters such that at one hole per unit cell the paramagnetic phase is metallic. The optical conductivity is computed using the Peierls phase approximation for the optical matrix elements. The calculation includes the physics of ``Zhang-Rice singlets.'' The effects of antiferromagnetism on the magnitude of the gap and the relation between correlation strength and doping-induced changes in state density are determined. Three-band and one-band models are compared. The two models are found to yield quantitatively consistent results for all energies less than about 4 eV including energies in the vicinity of the charge-transfer gap. Parameters on the insulating side of the metal/charge-transfer insulator phase boundary lead to gaps which are too large and near-gap conductivities which are too small relative to data. The results place the cuprates clearly in the intermediate correlation regime, on the paramagnetic metal side of the metal/charge-transfer insulator phase boundary.
Nonlinear doping states in Peierls–Hubbard models are investigated through response functions in magnetic, optical and vibronic channels. A random phase approximation is used for their analysis on the basis of totally unrestricted Hartree–Fock solutions, which in general have broken symmetries. The validity of the present method is first discussed through a comparison with known exact results for a two-site two-electron system. Then this method is applied to a two-dimensional three-band system with one additional hole relative to stoichiometry, for modeling the lightly doped copper oxides. New excitation modes are induced by doping and observed in the different channels of response functions. These doping-induced modes distinguish between various doping states and helpful for the identification of doping states in specific materials.
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included in .pdf document. The thesis deals with the theory of high temperature superconductivity from the standpoint of three-band Hubbard models. Chapter 1 of the thesis proposes a strongly coupled variational wavefunction that has the three-spin system of an oxygen hole and its two neighboring copper spins in a doublet and the background Cu spins in an eigenstate of the infinite range antiferromagnet. This wavefunction is expected to be a good "zeroth order" wavefunction in the superconducting regime of dopings. The three-spin polaron is stabilized by the hopping terms rather than the copper-oxygen antiferromagnetic coupling Jpd. Considering the effect of the copper-copper antiferromagnetic coupling Jdd, we show that the three-spin polaron cannot be pure Emery (Dg), but must have a non-negligible amount of doublet-u (Du) character for hopping stabilization. Finally, an estimate is made for the magnitude of the attractive coupling of oxygen holes. Chapter 2 presents an exact solution to a strongly coupled Hamiltonian for the motion of oxygen holes in a 1-D Cu-O lattice. The Hamiltonian separates into two pieces: one for the spin degrees of freedom of the copper and oxygen holes, and the other for the charge degrees of freedom of the oxygen holes. The spinon part becomes the Heisenberg antiferromagnet in 1-D that is soluble by the Bethe Ansatz. The holon piece is also soluble by a Bethe Ansatz with simple algebraic relations for the phase shifts. Finally, we show that the nearest neighbor Cu-Cu spin correlation increases linearly with doping and becomes positive at x [...] 0.70.
Theoretical ideas and experimental results concerning high-temperature superconductors are reviewed. Special emphasis is given to calculations performed with the help of computers applied to models of strongly correlated electrons proposed to describe the two-dimensional CuO2{\mathrm{O}}_{2}O2​ planes. The review also includes results using several analytical techniques. The one- and three-band Hubbard models and the $t\ensuremath{-}J$ model are discussed, and their behavior compared against experiments when available. The author found, among the conclusions of the review, that some experimentally observed unusual properties of the cuprates have a natural explanation through Hubbard-like models. In particular, abnormal features like the mid-infrared band of the optical conductivity $\ensuremath{\sigma}(\ensuremath{\omega})$, the new states observed in the gap in photoemission experiments, the behavior of the spin correlations with doping, and the presence of phase separation in the copper oxide superconductors may be explained, at least in part, by these models. Finally, the existence of superconductivity in Hubbard-like models is analyzed. Some aspects of the recently proposed ideas to describe the cuprates as having a ${d}_{{x}^{2}\ensuremath{-}{y}^{2}}$ superconducting condensate at low temperatures are discussed. Numerical results favor this scenario over others. It is concluded that computational techniques provide a useful, unbiased tool for studying the difficult regime where electrons are strongly interacting, and that considerable progress can be achieved by comparing numerical results against analytical predictions for the properties of these models. Future directions of the active field of computational studies of correlated electrons are briefly discussed.
A recent experiment has unveiled an anomalously strong electron-electron attraction in the one-dimensional copper-oxide chain ${\mathrm{Ba}}_{2\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{CuO}}_{3+\ensuremath{\delta}}$. While the effect of the near-neighbor electron attraction VVV in the one-dimensional extended Hubbard chain has been examined recently, its effect in the Hubbard model beyond the one-dimensional chain remains unclear. Here, we report a density matrix renormalization group study of the extended Hubbard model on long four-leg cylinders on the square lattice. We find that the near-neighbor electron attraction VVV can notably enhance the long-distance superconducting correlations while simultaneously suppressing the charge-density-wave (CDW) correlations. Specifically, for a modestly strong electron attraction, the superconducting correlations become dominant over the CDW correlations with a Luttinger exponent ${K}_{sc}\ensuremath{\sim}1$ and strong divergent superconducting susceptibility. Our results provide a promising way to realize long-range superconductivity in the doped Hubbard model. The relevance of our numerical results to cuprate materials is also discussed.