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Physica A Statistical Mechanics and its Applications

On the phonon mediated electron-electron interactions

J. Zieliński

Published Nov 1, 1984• 4 citations
Publisher
DOI
10.1016/0378-4371(84)90093-1

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An exact diagonalization study of the 2D Hubbard model extended with nearest neighbor (NN) phonon mediated interaction shows an interplay between on-site Coulomb interaction and intersite electron-phonon interaction. Initially, phonon mediated interaction between electrons is suppressed by onsite Coulomb repulsion. But after certain larger strength (depending on U) of phonon mediated interaction there is an effective attraction between electrons which forms onsite bipolaron (S0) and neighboring site bipolaron (S1).
This article presents a systematic theoretical enquiry concerning the conceptual foundations and the nature of phonon-mediated electron-electron interactions. Starting from the fundamental many-body Hamiltonian, we propose a simple scheme to decouple the electrons and nuclei of a crystalline solid via effective interactions. These effective interactions, which we express in terms of linear response functions, are completely symmetric under the exchange of electrons and nuclei. Correspondingly, we derive concrete formulae for both the effective electron interaction mediated by phonons and the effective core interaction mediated by electrons. In particular, we rederive from our fundamental ansatz the well-known general expressions of the effective electron-electron interaction in terms of the elastic Green function and the phonon dispersion relation. We further show that the effective core interaction coincides in the instantaneous limit with the dynamical matrix as calculated in electronic structure theory. If combined with the Kubo formalism, our general formulae lend themselves to the calculation of effective interactions from first principles. By showing the compatibility of our approach with the functional integral formalism, this work also paves the way for the derivation of ab initio initial interactions for functional renormalization group applications.