Polaronic Self-Localization Effects in the Three Band Peierls Hubbard Model

Abstract

We have studied the three-band Peierls-Hubbard model describing the Cu-O layers in high-T${}_c$ superconductors by using Lanczos diagonalization and assuming infinite mass for the ions. When the system is doped with one hole, and when the electron-lattice coupling is greater than a critical value, we found that the oxygens around one Cu contract and the hole self-traps forming a lattice and electronic small polaron. The self-trapped hole forms a local singlet analogous to the Zhang-Rice singlet in the undeformed lattice. We also studied the single-particle spectral function and the optical conductivity. We have found that the spectral weight, in general, is similar to that found in previous studies where the coupling with the lattice was absent. There is an anomalous transfer of spectral but, contrary to those studies, it goes to these localized polaronic states. However, this polaronic shift does not seem enough by itself to explain the pinning of the chemical potential observed in real materials. We compare our results to those obtained in inhomogeneous Hartree-Fock calculations and we discuss their relation with experiments.

REVTEX, 23 pages, 12 figures available upon request, MPI-93.140

Cited by in corpus (18)

• Correlated Electrons in High Temperature Superconductors
• The Electron-Phonon Interaction in the Presence of Strong Correlations
• Theory of Phonon-Assisted Multimagnon Optical Absorption and Bimagnon States in Quantum Antiferromagnets
• Charge instabilities and electron-phonon interaction in the Hubbard-Holstein model
• Phase diagram of one-dimensional Hubbard-Holstein model at quarter-filling
• Correlated singlet phase in the one-dimensional Hubbard-Holstein model
• Magnetic orders in the hole doped three-band Hubbard model: spin spirals, nematicity, and ferromagnetic domain walls
• Phonon renormalization from local and transitive electron-lattice couplings in strongly correlated systems
• The Holstein-Hubbard Model at Half-filling : A Static Auxiliary Field Study
• Magnetic and charge orders in the ground state of the Emery model -- accurate numerical results
• Polaron and bipolaron formation in the Hubbard-Holstein model: role of next-nearest neighbor electron hopping
• Fate of doped carriers in silver fluoride cuprate analogues
• Polaron Formation in the Three-Band Peierls-Hubbard Model for Cuprate Superconductors
• Stripe phases - possible ground state of the high-Tc superconductors
• Study of supersolidity in the two-dimensional Hubbard-Holstein model
• Aspects of the normal state phase of copper oxide planes in high Tc superconductors
• Stability of correlated electronic systems under the influence of the electron-phonon interaction
• Phase diagram of Hubbard-Holstein model on 4-leg tube system at quarter-filling