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arXiv:cond-mat/0607612 · Physical Review B

Sum rules and vertex corrections for electron-phonon interactions

O. Rösch, Giorgio Sangiovanni, O. Gunnarsson

Published Jan 17, 2007• 12 citations
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Abstract

We derive sum rules for the phonon self-energy and the electron-phonon contribution to the electron self-energy of the Holstein-Hubbard model in the limit of large Coulomb interaction $U$. Their relevance for finite $U$ is investigated using exact diagonalization and dynamical mean-field theory. Based on these sum rules, we study the importance of vertex corrections to the electron-phonon interaction in a diagrammatic approach. We show that they are crucial for a sum rule for the electron self-energy in the undoped system while a sum rule related to the phonon self-energy of doped systems is satisfied even if vertex corrections are neglected. We provide explicit results for the vertex function of a two-site model.

DOI
10.1103/physrevb.75.035119

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We derive sum rules for the phonon self-energy and the electron-phonon contribution to the electron self-energy of the Holstein-Hubbard model in the limit of large Coulomb interaction UUU. Their relevance for finite UUU is investigated using exact diagonalization and dynamical mean-field theory. Based on these sum rules, we study the importance of vertex corrections to the electron-phonon interaction in a diagrammatic approach. We show that they are crucial for a sum rule for the electron self-energy in the undoped system while a sum rule related to the phonon self-energy of doped systems is satisfied even if vertex corrections are neglected. We provide explicit results for the vertex function of a two-site model.
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.
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 Green's-function techniques, especially the one developed in the preceding paper [Takada, Phys. Rev. B 52, 12 708 (1995)], are employed to calculate the electron-phonon vertex part as well as the electronic self-energy exactly on both real- and imaginary-frequency axes in the electron-phonon Holstein model with the on-site Coulomb repulsion in the limit in which the intramolecular phonon energy ${\mathrm{\ensuremath{\omega}}}_{0}$ is much larger than the electronic bandwidth. The rigorous vertex part is found to diverge at the frequencies at which an electron is locked by such local phonons with an infinitely strong effective coupling. Characteristic frequencies of this divergence, which are not equal to multiples of ${\mathrm{\ensuremath{\omega}}}_{0}$, are calculated as a function of the electron-phonon bare coupling constant. Our results for the self-energy are checked successfully with the exact ones obtained by the Lang-Firsov canonical transformation.
We present a method for solving impurity models with electron-phonon coupling, which treats the phonons efficiently and without approximations. The algorithm is applied to the Holstein-Hubbard model in the dynamical mean field approximation, where it allows access to strong interactions, very low temperatures, and arbitrary fillings. We show that a renormalized Migdal-Eliashberg theory provides a reasonable description of the phonon contribution to the electronic self-energy in strongly doped systems, but fails if the quasiparticle energy becomes of order of the phonon frequency.
One of the challenges in many-body physics is determining the effects of phonons on strongly correlated electrons. The difficulty arises from strong correlations at differing energy scales -- for band metals, Migdal-Eliashberg theory accurately determines electron-phonon coupling effects due to the absence of vertex corrections -- but strongly correlated electrons require a more complex description and the standard Migdal-Eliashberg approach does not necessarily apply. In this work, we solve for the atomic limit Green's function of the Holstein-Hubbard model with both time-dependent electron-electron and electron-phonon couplings. We derive nonequilibrium spectral moment sum rules for the first four moments of the single-particle Green's function. We then analytically confirm that this Green's function exactly satisfies the zeroth, first, and second moment sum rules, and provide numerical evidence that the third spectral moment sum rule also holds. Finally we calculate the two-particle Green's function in the atomic limit. These two functions are required inputs to create a self-consistent strong-coupling expansion for the lattice Green's functions of the Hubbard-Holstein model.
In the context of the Holstein polaron problem, it is shown that the dynamical mean-field theory (DMFT) corresponds to the summation of a special class of local diagrams in the skeleton expansion of the self-energy. In the real space representation, these local diagrams are characterized by the absence of vertex corrections involving phonons at different lattice sites. Such corrections vanish in the limit of infinite dimensions, for which the DMFT provides the exact solution of the Holstein polaron problem. However, for finite dimensional systems, the accuracy of the DMFT is limited. In particular, it cannot describe correctly the adiabatic spreading of the polaron over multiple lattice sites. Arguments are given that the DMFT limitations on vertex corrections found for the Holstein polaron problem persist for finite electron densities and arbitrary phonon dispersion.