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arXiv:cond-mat/0307190

Comment on ``Electron-phonon Vertex in the Two-dimensional One-band Hubbard Model''

Benedetta Cerruti, E. Cappelluti, L. Pietronero

Published Jul 9, 2003• 0 citations
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Abstract

In cond-mat/0306131 Huang {\em et al.} reported for the first time a numerical evidence for the predominance of small phonon momenta in the electron-phonon coupling induced by electronic correlation. They report also an upturn of the electron-phonon vertex function for small momenta as function of the Hubbard repulsion $U$ for sufficient large $U$. In this comment we compare their Quantum Monte Carlo data with analytical results based on slave-boson techniques for generic $U$. We associate the upturn of the electron-phonon vertex function with the tendency towards a phase separation instability at large temperatures.

DOI
10.48550/arxiv.cond-mat/0307190

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In cond-mat/0306131 Huang {\em et al.} reported for the first time a numerical evidence for the predominance of small phonon momenta in the electron-phonon coupling induced by electronic correlation. They report also an upturn of the electron-phonon vertex function for small momenta as function of the Hubbard repulsion UUU for sufficient large UUU. In this comment we compare their Quantum Monte Carlo data with analytical results based on slave-boson techniques for generic UUU. We associate the upturn of the electron-phonon vertex function with the tendency towards a phase separation instability at large temperatures.
We investigate the effect of electronic correlations on the coupling of electrons to Holstein phonons in the one-band Hubbard model. We calculate the static electron-phonon vertex within the linear response of Kotliar-Ruckenstein slave bosons in the paramagnetic saddle-point approximation. Within this approach the on-site Coulomb interaction UUU strongly suppresses the coupling to Holstein phonons at low temperatures. Moreover, the vertex function does not show particularly strong forward scattering. Going to larger temperatures $kT\ensuremath{\sim}t$ we find that after an initial decrease with UUU, the electron-phonon coupling starts to increase with UUU, confirming a recent result of Cerruti, Cappelluti, and Pietronero. We show that this behavior is related to an unusual reentrant behavior from a phase separated to a paramagnetic state upon decreasing the temperature.
Using quantum Monte Carlo techniques, we study the effects of electronic correlations on the effective electron-phonon (el-ph) coupling in a two-dimensional one-band Hubbard model. We consider a momentum-independent bare ionic el-ph coupling. In the weak- and intermediate-correlation regimes, we find that the on-site Coulomb interaction U acts to effectively suppress the ionic el-ph coupling at all electron and phonon momenta. In this regime, our numerical simulations are in good agreement with the results of perturbation theory to order U2.{U}^{2}.U2. However, entering the strong-correlation regime, we find that the forward-scattering process stops decreasing and begins to substantially increase as a function of U, leading to an effective el-ph coupling which is peaked in the forward direction. Whereas at weak and intermediate Coulomb interactions, screening is the dominant correlation effect suppressing the el-ph coupling, at larger U values irreducible vertex corrections become more important and give rise to this increase. These vertex corrections depend crucially on the renormalized electronic structure of the strongly correlated system.
In this paper we employ a Gaussian expansion within the finite-UUU slave-bosons formalism to investigate the momentum structure of the electron-phonon vertex function in the Hubbard model as function of U and n. The suppression of large momentum scattering and the onset of a small-q\mathbf{q}q peak structure, parametrized by a cut-off qc,{q}_{c},qc​, are shown to be essentially ruled by the band narrowing factor ZMF{Z}_{\mathrm{MF}}ZMF​ due to the electronic correlation. A phase diagram of ZMF{Z}_{\mathrm{MF}}ZMF​ and qc{q}_{c}qc​ in the whole U−−nU--nU−−n space is presented. Our results are in more than qualitative agreement with a recent numerical analysis and permit one to understand some anomalous features of the quantum Monte Carlo data.
Recent studies of pairing and charge order in materials such as FeSe, SrTiO3_33​, and 2H-NbSe2_22​ have suggested that momentum dependence of the electron-phonon coupling plays an important role in their properties. Initial attempts to study Hamiltonians which either do not include or else truncate the range of Coulomb repulsion have noted that the resulting spatial non-locality of the electron-phonon interaction leads to a dominant tendency to phase separation. Here we present Quantum Monte Carlo results for such models in which we incorporate both on-site and intersite electron-electron interactions. We show that these can stabilize phases in which the density is homogeneous and determine the associated phase boundaries. As a consequence, the physics of momentum dependent electron-phonon coupling can be determined outside of the trivial phase separated regime.
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.
On the basis of quantum Monte Carlo simulations we study the influence of "breathing" lattice distortions on the two-dimensional Hubbard model. In the half-filled band case the system remains stable against the formation of a charge-density wave already for intermediate values (U=4tU=4tU=4t) of the electronic interaction. However, the addition of holes allows for a charge-density-wave state. Thus, the structural instability is not driven by nesting of the Fermi surface, but by the combined effect of doping and Coulomb correlation. The influence of the distortion on the various pairing correlation functions is calculated.