Cooperative effect of doping and temperature on the polaronic band structure in strongly correlated electron systems with strong electron-phonon interaction

TL;DR

This study explores how doping and temperature influence the electronic structure of strongly correlated electron systems with significant electron-phonon interactions, revealing band structure reconstructions and phase transitions.

Contribution

It introduces a polaronic version of the generalized tight binding method to analyze doping and temperature effects in a three-band p-d-Holstein model, highlighting new polaronic features.

Findings

Fermi contour transforms from small hole pockets to large contours with doping.

Doping causes splitting of the valence band top and emergence of new polaron subbands.

Increasing temperature leads to flatband formation and spectral weight transfer.

Abstract

In this work we investigate doping and temperature dependences of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a polaronic version of the generalized tight binding (GTB) method. Within this approach the electronic structure is formed by polaronic quasiparticles constructed as excitations between initial and final polaronic multielectron states. Doping and temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Both effects are manifested in the reconstruction of band structure, Fermi contours, density of states and redistribution of the spectral weight over the Hubbard polaron subbands. Doping leads to transformation of Fermi contour from small hole pockets around k=(pi/2,pi/2) with inhomogeneous spectral weight distribution at small hole concentration to large contour around k=(pi,pi) in the overdoped compound as a result of two quantum phase transitions. In the system with phonon subsystem and EPI doping results in the top of the valence band splitting off and new polaron subbands appearance. Temperature increasing in the system with doped holes and moderate EPI leads to formation of the flatband around k=(pi,pi) and transfer of the spectral weight to the splitted off top of the valence band.