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Physica C Superconductivity

Exact ground state properties of polarons in the limit of large dimensions

Sergio Ciuchi, FERDINANDO DE PASQUALE, D. Feinberg

Published Dec 1, 1994• 4 citations
Publisher
DOI
10.1016/0921-4534(94)92415-5

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The ground-state energy, the effective mass and the number of virtual phonons of the optical large polaron confined strictly in one dimension have been estimated by using the generalized Gaussian approximation. The leading-order terms take care of all Gaussian fluctuations in the system and improve the conventional variational estimates at finite coupling. Particularly, the lowest upper bound to the polaron ground-state energy has been obtained. The non-Gaussian contributions systematically correct the leading-order approximations. We have obtained exact analytical solutions in the weak- and strong-coupling limit and reasonable numerical data for intermediate coupling. Our result for the number of excited phonons limits the validity region of the few-phonon approximation methods.
A dynamical mean-field theory of the small polaron problem is presented, which becomes exact in the limit of infinite dimensions. The ground-state properties and the one-electron spectral function are obtained for a single electron interacting with Einstein phonons by a mapping of the lattice problem onto a polaronic impurity model. The one-electron propagator of the impurity model is calculated through a continued fraction expansion, at both zero and finite temperature, for any electron-phonon coupling and phonon energy. In contrast to the ground-state properties, such as the effective polaron mass, which show a continuous behavior as the coupling is increased, spectral properties exhibit a sharp qualitative change at low enough phonon frequency: beyond a critical coupling, one energy gap and then more open in the density of states at low energy, while the high-energy part of the spectrum is broad and can be qualitatively explained by a strong coupling adiabatic approximation. As a consequence, narrow and coherent low-energy subbands coexist with an incoherent featureless structure at high energy. The subbands denote the formation of quasiparticle polaron states. Also, divergencies of the self-energy may occur in the gaps. At finite temperature such an effect triggers an important damping and broadening of the polaron subbands. On the other hand, in the large phonon frequency regime such a separation of energy scales does not exist and the spectrum always has a multipeaked structure.
We adapt a variational procedure to calculate ground-state properties of the Holstein model in the adiabatic limit. At strong coupling, this adaption leads to rapid convergence of results. The intermediate coupling regime is further handled with an adaptive algorithm. We also use semiclassically derived results for the adiabatic end point, along with weak coupling perturbation theory. These establish weak and strong coupling (or large and small polaron, respectively) regimes in two dimensions or higher. As is well known, these are connected smoothly, but the crossover becomes increasingly abrupt as the phonon frequency decreases.