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arXiv · 1506.05368

Polaronic approach to strongly correlated electron system with strong electron-phonon interaction

I. A. Makarov·E. I. Shneyder·P. A. Kozlov·S. G. Ovchinnikov
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Abstract

The three band p-d model of strongly correlated electrons interacting with optical phonon via diagonal and off-diagonal electron-phonon interaction is considered within cluster perturbation theory. At first step the exact diagonalization of the Hamiltonian of CuO4 cluster results in the construction of local polaronic eigenstates |p> with hole numbers nh=0,1,2 per unit cell. The inter cluster hoppings and interactions are exactly written in terms of Hubbard operators X(pq)= |p> . The Fermi type single electron quasiparticle dispersion and spectral weight are calculated for the undoped antiferromagnetic parent insulator like La2CuO4. The quasiparticle dispersion of Hubbard polarons is determined by a hybridization of the several Hubbard subbands with local Franck-Condon resonances. For small electron-phonon interaction the conductivity band is stronger renormalized then the valence band. Nevertheless for large electron-phonon interaction both bands are strongly renormalized with quasiparticle localization. Effect of partial compensation of diagonal and off-diagonal electron-phonon interaction at intermediate coupling is found.

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I. A. Makarov, E. I. Shneyder, P. A. Kozlov, S. G. Ovchinnikov. 2015-06-17. Polaronic approach to strongly correlated electron system with strong electron-phonon interaction. https://doi.org/10.1103/physrevb.92.155143

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