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Physical Review B

Dynamic charge transfer and spin-phonon interaction in high- Tc supeconductors

Przemysław Piekarz, T. Egami

Published Aug 31, 2005• 23 citations
Publisher

Abstract

The effects of the electron-phonon interaction on charge and spin dynamics are studied for the one-dimensional two-band Hubbard model by the exact diagonalization method. The parameters of the model are chosen to represent a hole-doped Cu-O system. Local charge fluctuations induced by phonons are expressed in terms of microscopic current and polarization, and it is shown that the dynamic charge transfer is strongly dependent on the phonon wave vector when the system is doped with holes. The dynamic magnetic structure factor is also found to be significantly modified by lattice distortion. In particular the lowest-energy spin excitations are greatly softened, indicating significant spin-phonon coupling. It is shown that the optical response is significantly modified as well due to coupling with the lattice over an energy range far exceeding the phonon energy. These results demonstrate the unconventional nature of the electron-phonon coupling in the strongly correlated electron systems. Its possible implications to the pairing mechanism in the cuprates are discussed.

DOI
10.1103/physrevb.72.054530

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The effects of the electron-phonon interaction on charge and spin dynamics are studied for the one-dimensional two-band Hubbard model by the exact diagonalization method. The parameters of the model are chosen to represent a hole-doped Cu-O system. Local charge fluctuations induced by phonons are expressed in terms of microscopic current and polarization, and it is shown that the dynamic charge transfer is strongly dependent on the phonon wave vector when the system is doped with holes. The dynamic magnetic structure factor is also found to be significantly modified by lattice distortion. In particular the lowest-energy spin excitations are greatly softened, indicating significant spin-phonon coupling. It is shown that the optical response is significantly modified as well due to coupling with the lattice over an energy range far exceeding the phonon energy. These results demonstrate the unconventional nature of the electron-phonon coupling in the strongly correlated electron systems. Its possible implications to the pairing mechanism in the cuprates are discussed.
Abstract Several state-of-the-art numerical methods have observed static or fluctuating spin and charge stripes in doped two-dimensional Hubbard models, suggesting that these orders play a significant role in shaping the cuprate phase diagram. Many experiments, however, also indicate that the cuprates have strong electron-phonon (e-ph) coupling, and it is unclear how this interaction influences stripe correlations. We study static and fluctuating stripe orders in the doped single-band Hubbard-Holstein model using zero temperature variational Monte Carlo and finite temperature determinant quantum Monte Carlo. We find that the lattice couples more strongly with the charge component of the stripes, leading to an enhancement or suppression of stripe correlations, depending on model parameters like the next-nearest-neighbor hopping t′{t}^{{\prime} }t′ t′ or phonon energy Ω. Our results help elucidate how thee-ph interaction can tip the delicate balance between stripe and superconducting correlations in the Hubbard-Holstein model with implications for our understanding of the high-Tccuprates.
We present a dynamical mean-field study of nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated electron systems. Analyzing the effects of electronic correlations on the lowest-order electron-phonon processes, we show that in the proximity of the Mott metal-to-insulator transition of the doped square lattice Hubbard model, where the isothermal charge response becomes particularly large at small momenta, the coupling of electrons to the lattice is strongly increased. This, in turn, induces significant corrections to both the electronic self-energy and phonon-mediated pairing interaction, indicating the possible onset of a strong interplay between lattice and electronic degrees of freedom even for small values of the bare electron-phonon coupling.
The renormalization of the electron-phonon interaction by strong electronic correlations is studied using a one-band Hubbard model with infinite repulsion and nearest (t model) and nearest and second-nearest (tt\ensuremath{'} model) neighbor hopping terms and an on-site electron-phonon coupling. Using Hubbard's X operators and an extension from 2 to N degrees of freedom for the electrons the leading contributions for the electron self-energy and the vertex function in 1/N and the electron-phonon coupling constant are given and numerically evaluated for a square lattice. We find that the momentum dependence of the vertex function depends strongly on doping: For large dopings it is rather weak, with decreasing doping it becomes more and more pronounced leading to a strong reduction of the vertex at larger momentum transfers until, for very small dopings, the vertex essentially consists of a forward scattering peak with a width proportional to the doping. This behavior occurs both in the t and the tt\ensuremath{'} models and also in one dimension where analytic expressions are derived. Correlation effects also change ${\mathrm{\ensuremath{\alpha}}}^{2}$F in general: The full-symmetric component ${\mathrm{\ensuremath{\alpha}}}^{2}$F1{\mathit{F}}_{1}F1​ is in the t model somewhat, in the tt\ensuremath{'} model rather strongly suppressed, especially near half-filling; the other symmetry components ${\mathrm{\ensuremath{\alpha}}}^{2}$Fi{\mathit{F}}_{\mathit{i}}Fi​ with i=2,...,5 increase strongly with decreasing doping and are of similar magnitude as ${\mathrm{\ensuremath{\alpha}}}^{2}$F1{\mathit{F}}_{1}F1​ near half-filling.Including also direct Coulomb repulsion nontrivial symmetries such as d wave become more stable than the s-wave order parameter below a critical value for the doping even for the considered phonon-mediated superconductivity. Most dramatic, however, is the quenching of the resistivity due to electron-phonon scattering both in the t and the tt\ensuremath{'} models at intermediate and small dopings. This result may explain the absence of phonon features in the experimental transport coefficients of high-Tc{\mathit{T}}_{\mathit{c}}Tc​ compounds. \textcopyright{} 1996 The American Physical Society.
The properties of the electron-phonon interaction in the presence of a sizable electronic repulsion at finite doping are studied by investigating the metallic phase of the Hubbard-Holstein model with dynamical mean-field theory. Analyzing the quasiparticle weight at finite doping, we find that a large Coulomb repulsion reduces the effect of electron-phonon coupling at low energy, while this reduction is not present at high energy. The renormalization of the electron-phonon coupling induced by the Hubbard repulsion depends in a surprisingly strong and nontrivial way on the phonon frequency. Our results suggest that phonon might affect differently high-energy and low-energy properties and this, together with the effect of phonon dynamics, should be carefully taken into account when the effects of the electron-phonon interaction in a strongly correlated system, like the superconducting cuprates, are discussed.
We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors has been extensively studied on the basis of various electronic models and also electron-phonon models. In this study, we investigate the properties of superconductivity in correlated-electron systems by using numerical methods such as the variational Monte Carlo method and the quantum Monte Carlomethod. The Hubbard model is one of basic models for strongly correlated electron systems, and is regarded as the model of cuprate high temperature superconductors. The d-p model is more realistic model for cuprates. The superconducting condensation energy obtained by adopting the Gutzwiller ansatz is in reasonable agreement with the condensation energy estimated for YBa2Cu3O7. We show the phase diagram of the ground state using this method. We have further investigated the stability of striped and checkerboard states in the under-doped region. Holes doped in a half-filled square lattice lead to an incommensurate spin and charge density wave. The relationship of the hole density x and incommensurability δ, δ~x, is satisfied in the lower doping region, as indicated by the variationalMonte Carlocalculations for the two-dimensional Hubbard model. A checkerboard-like charge-density modulation with a roughly period has also been observed by scanning tunneling microscopy experiments in Bi2212 and Na-CCOC compounds. We have performed a variational Monte Carlo simulation on a two-dimensional t-t′-t″- U Hubbard model with a Bi-2212 type band structure and found that the period checkerboard spin modulation, that is characterized by multi Q vectors, is indeed stabilized. We have further performed an investigation by using a quantumMonte Carlomethod, which is a numerical method that can be used to simulate the behavior of correlated electron systems. We present a new algorithm of the quantum Monte Carlo diagonalization that is a method for the evaluation of expectation value without the negative sign problem. We compute pair correlation functions and show that pair correlation is indeed enhanced with hole doping.
The Hamiltonian describing a system of strongly correlated electrons coupled to dispersionless phonons was solved numerically for a ring of 8 atoms using the density matrix renormalization group (DMRG) method. It was found that electron correlation and electron-phonon coupling compete against each other, and strong electron correlations suppress the charge-ordered insulating state. This allows extended polarons to form in the strong electron-phonon coupling regime. It is shown that in this regime two polarons may form a pair via phonon mediated charge-fluctuation interaction. Based on the results we propose a novel mechanism of hole pairing. This mechanism could be relevant to High-Tc cuprates.