Frozen Phonon Calculations in the Three-Band Hubbard Model for High-Temperature Superconductors

Abstract

On the basis of Quantum Monte Carlo (QMC) simulations, we study the influence of specific phonon, i e the oxygen half-breathing (π,0) mode in the three-band Hubbard model as a relevant model for high-temperature superconductors. In the hole-doped case, both the diagonal and the off-diagonal couplings dramatically change the total energy and local spin correlations. However, in the electron-doped case, the diagonal electron-phonon coupling changes the total energy much more than the off-diagonal coupling, and an essential difference from hole doping is that the electron-phonon coupling has negegible effects on local spin-spin correlations.