Determination of electron binding from spectral flows in strongly correlated systems

C. Lehner, Gunnar Baumgärtel, Jörg Schmalian +1 more

Goetz Moeller

I. A. Makarov, Sergey G. Ovchinnikov

In this work we investigate temperature dependence 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. Temperature effect is taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions and it is manifested in the redistribution of the spectral weight over the Hubbard polaron subbands, and the temperature dependent band structure. Temperature increasing leads to broadening of the spectral function peak at the top of the valence band, shift of the peak, the decreasing of the peak intensity, the growth of bandwidth and reduction of the insulator energy gap. These effects are in a qualitative agreement to the temperature dependence of the ARPES spectra observed in the undoped HTSC cuprates.

Pang Xiao‐feng

The influences of the squeezing–antisqueezing effect arising from variations of the electron density and motion of polarons and nonadiabatic phonon fluctuations on the properties of the ground state and the binding energy of the polaron in the Holstein model of coupled one-dimensional electron–phonon systems with spin 1/2 in the cases of high and low electron densities have been studied by using the Bogolyubov transformation and a new ansatz for states that includes correlation effects among the one-phonon coherent and two-phonon squeezed and polaronic states. The results obtained show that the squeezing–antisqueezing (correlation) effect results in that the ground state energy of the systems is significantly lowered, and the binding energy of the polaron is considerably increased. Thus, the stability of the systems and of the polaron are obviously enhanced in such a case when compared with the uncorrelated case. This shows that the ground state determined by the new state ansatz is most stable, and the new ansatz introduced here is very relevant for the coupled electron–phonon systems, especially in strongly coupled and largely squeezed cases.

Hong Yao

I. A. Makarov, Sergei G. Ovchinnikov

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.