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Charge localization and stripes in a two-dimensional three-band Peierls-Hubbard model

J. Tinka Gammel, Zheyin Yu, Jianfeng Zang, A. R. Bishop

Published Mar 1, 1998• 0 citations
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We investigate the ground state and the excitation spectrum associated with the localized defect states of the three-quarter-filled, one-dimensional Peierls-Hubbard model. In the continuum limit with an infinite, on-site electron-electron repulsion energy U, the Hamiltonian is mapped onto the N=1 Gross-Neveu model, in which irrationally charged soliton-antisoliton pairs are formed upon doping, while polarons are unstable. Corrections due to finite-U effects are discussed. However, discreteness effects are found to support excitations absent from the continuum field theory. In particular, for large band separation a novel type of polaron can be formed with a highly localized electronic wave function surrounded by an extended pattern of local lattice distortion.
We study the ground state properties of the hole-doped three-band Hubbard (Emery) model, describing the copper-oxygen planes of the cuprates, using large-scale two-dimensional tensor network calculations. Our simulations reveal a period 4 stripe state with spin and weak charge order over an extended doping range beyond $\ensuremath{\delta}\ensuremath{\sim}0.12$ and stripes with larger periods at smaller doping. The period 4 stripe exhibits coexisting ddd-wave superconductivity in the doping range $0.15\ensuremath{\lesssim}\ensuremath{\delta}<0.25$, while at smaller doping around $\ensuremath{\delta}\ensuremath{\sim}1/8$ we find a strong competition between superconducting and nonsuperconducting stripes, including also pair density-wave states with an alternating sign structure on neighboring stripes, suggesting that the fate of superconductivity around 1/8 doping may be sensitive on the model parameters.