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NATO ASI series. Series B : Physics

Exact Results and Conjectures on the Adiabatic Holstein-Hubbard Model at Large Electron-Phonon Coupling

S. Aubry

Published Jan 1, 1995• 2 citations
Publisher
DOI
10.1007/978-1-4899-1042-4_14

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Bipolaronic charge density waves and polaronic spin density waves in the Holstein-Hubbard model

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At large electron-phonon coupling, the phonon of the Holstein-Hubbard model can be (generally) treated classically. Exact results can be obtained for this model at any band filling and any finite dimension where the Hubbard term with coefficient U is treated rigorously. The existence of chaotic bipolaronic states is proven when U is smaller than a certain value Uc and for an electron-phonon coupling k sufficiently large. The existence of magnetic polaronic states is also proven for positive U and k sufficiently large. For 0<U<Uc, there exists an overlap region with chaotic mixed polaronic-bipolaronic states. There is a region for U=Uc/2 and large k of special interest, where the bipolarons in their ground-state become singlet pairs of polarons bounded by a magnetic resonance. Then, the Peierls-Nabarro barrier which usually pins polarons and bipolarons to the lattice depresses to almost zero and the validity of the classical lattice approximation breaks down so that the initial exact results do not apply in that specific region. The formation of a superconducting state with possibly a high critical temperature, is then conjectured at a large coupling k in a narrow domain in-between the two insulating domains corresponding to Bipolaronic Charge Density Waves and to magnetic Polaronic Spin Density Waves respectively.

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We consider the Hubbard-Holstein model in the adiabatic limit to investigate the effects of electron-electron interactions on the electron-phonon coupling. To this aim we compute at any momentum and filling the static charge susceptibility of the Hubbard model within the Gutzwiller approximation, and we find that electron-electron correlations effectively screen the electron coupling to the lattice. This screening is more effective at large momenta, and as a consequence, the charge-density-wave phase due to the usual Peierls instability of the Fermi-surface momenta is replaced by a phase-separation instability when the correlations are sizable.

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At large electron-phonon coupling, the phonon of the Holstein-Hubbard model can be (generally) treated classically. Exact results can be obtained for this model at any band filling and any finite dimension where the Hubbard term with coefficient U is treated rigorously. The existence of chaotic bipolaronic states is proven when U is smaller than a certain value Uc and for an electron-phonon coupling k sufficiently large. The existence of magnetic polaronic states is also proven for positive U and k sufficiently large. For 0<U<Uc, there exists an overlap region with chaotic mixed polaronic-bipolaronic states. There is a region for U=Uc/2 and large k of special interest, where the bipolarons in their ground-state become singlet pairs of polarons bounded by a magnetic resonance. Then, the Peierls-Nabarro barrier which usually pins polarons and bipolarons to the lattice depresses to almost zero and the validity of the classical lattice approximation breaks down so that the initial exact results do not apply in that specific region. The formation of a superconducting state with possibly a high critical temperature, is then conjectured at a large coupling k in a narrow domain in-between the two insulating domains corresponding to Bipolaronic Charge Density Waves and to magnetic Polaronic Spin Density Waves respectively.
We review a series of exact, analytical and numerical results obtained on the adiabatic Holstein–Hubbard model, many of which are new and non-trivial. We study next the role of the quantum lattice fluctuations that were initially neglected. The possibility of having high- T c bipolaronic superconductors is analysed on the basis of these results. We suggest that models that involve only electron–phonon coupling are very unlikely to produce bipolaronic superconductivity, which is prevented by the spatial ordering of the bipolarons associated with a lattice instability. This is due to a very large effective mass of the bipolarons that can be related to the large Peierls–Nabarro energy barrier required to move these bipolarons through the lattice in the adiabatic limit. We conjecture that high- T c superconductivity originates specifically from the exceptionally well-balanced competition between electron–phonon coupling and electron–electron repulsion. In the restricted region in which, within the mean field approach, the energy of a bipolaron is close to those of two polarons, a new type of electron pairing occurs by formation of pairs of polarons in the spin singlet state. Such a polaron pair, called a spin resonant bipolaron (SRB), is not the standard bipolaron (both could exist in the adiabatic case). Its Peierls–Nabarro energy barrier can be sharply depressed, almost to zero. As a result of quantum lattice fluctuations, its tunnelling energy is sharply enhanced. Then, superconductivity could persist for a relatively large electron–phonon coupling, with an unusually large critical temperature as a Bose condensate of SRBs before becoming, at larger coupling and in any case, an insulating spin–Peierls polaronic phase.
We consider the Hubbard-Holstein model in the adiabatic limit to investigate the effects of electron-electron interactions on the electron-phonon coupling. To this aim we compute at any momentum and filling the static charge susceptibility of the Hubbard model within the Gutzwiller approximation, and we find that electron-electron correlations effectively screen the electron coupling to the lattice. This screening is more effective at large momenta, and as a consequence, the charge-density-wave phase due to the usual Peierls instability of the Fermi-surface momenta is replaced by a phase-separation instability when the correlations are sizable.