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Response Theory of the Electron-Phonon Coupling

Author: R. Starke, G. A. H. Schober
Url: http://arxiv.org/abs/1606.00012
Format: Ps, Pdf, TeX
Year: 2016
Category: Polarons
Pages: 169
Clicks: 233

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 between electrons and nuclei. Correspondingly, we derive concrete formulae for both the effective electron interaction mediated by phonons and the effective nuclear 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 nuclear 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.

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