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arXiv:cond-mat/0410032 · Journal of Physics Condensed Matter

Tunnelling system coupled to a harmonic oscillator: an analytical treatment

Simone Paganelli, Sergio Ciuchi

Published Jul 31, 2006• 17 citations
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Abstract

We give an analytical formula in term of continued fraction expansions for the spectral function of a tunnelling electron, coupled to a local lattice oscillation, in a two-site cluster at non-zero temperature. We also study the spectral function of the polaron, a better defined quasi-particle in the anti-adiabatic regime and at sufficiently low temperature. The exact results obtained allow us to look into a wide range of temperature and coupling. Asymptotic results can be obtained directly from the continued fraction expansions in both adiabatic and anti-adiabatic regimes. In the intermediate/strong anti-adiabatic case, in contrast to the usual Lang-Firsov approximation scheme, we found that there is no shrinking of the polaron band as temperature increases. Polaron bandwidth gets broader by temperature effects.

DOI
10.1088/0953-8984/18/32/015

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We give an analytical formula in term of continued fraction expansions for the spectral function of a tunnelling electron, coupled to a local lattice oscillation, in a two-site cluster at non-zero temperature. We also study the spectral function of the polaron, a better defined quasi-particle in the anti-adiabatic regime and at sufficiently low temperature. The exact results obtained allow us to look into a wide range of temperature and coupling. Asymptotic results can be obtained directly from the continued fraction expansions in both adiabatic and anti-adiabatic regimes. In the intermediate/strong anti-adiabatic case, in contrast to the usual Lang-Firsov approximation scheme, we found that there is no shrinking of the polaron band as temperature increases. Polaron bandwidth gets broader by temperature effects.
The phonon spectral function of the one-dimensional Holstein model is obtained within weak and strong-coupling approximations based on analytical self-energy calculations. The characteristic excitations found in the limit of small charge-carrier density are related to the known (electronic) spectral properties of Holstein polarons such as the polaron band dispersion. Particular emphasis is laid on the different physics occurring in the adiabatic and anti-adiabatic regimes, respectively. Comparison is made with a cluster approach exploiting exact numerical results on small systems to yield an approximation for the thermodynamic limit. This method, similar to cluster perturbation theory, confirms the analytical findings, and yields accurate results also in the intermediate-coupling regime.
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.
The phonon spectral function of the one-dimensional Holstein model is obtained within weak and strong-coupling approximations based on analytical self-energy calculations.The characteristic excitations found in the limit of small charge-carrier density are related to the known (electronic) spectral properties of Holstein polarons such as the polaron band dispersion.Particular emphasis is laid on the different physics occurring in the adiabatic and antiadiabatic regimes, respectively.Comparison is made with a cluster approach exploiting exact numerical results on small systems to yield an approximation for the thermodynamic limit.This method, similar to cluster perturbation theory, confirms the analytical findings, and yields accurate results also in the intermediate-coupling regime.
The spectral function of a single electron coupled to Einstein phonons (Holstein model) is calculated exactly in the limit of large space dimensionality, for any coupling strength and phonon frequency. A self-consistent mapping onto an effective impurity model leads to the solution in terms of a continued-fraction expansion for the electron propagator at zero temperature. True self-trapping is obtained only for finite bandwidth, such as the case of a Bethe lattice in infinite dimensions. It is shown that at intermediate coupling multiphonon resonances develop, corresponding to polaron states. Only the lowest one has long lifetime, and the polaron mass is calculated.