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Effective one-band models for the 1D cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+\delta}$

Strongly Correlated Electrons 2024-05-29 v1

Abstract

We consider a multiband Hubbard model HmH_m for Cu and O orbitals in Ba2x_{2-x}Srx_xCuO3+δ_{3+\delta} similar to the tree-band model for two-dimensional (2D) cuprates. The hopping parameters are obtained from maximally localized Wannier functions derived from \textit{ab initio} calculations. Using the cell perturbation method, we derive both a generalized tJt-J model HtJH_{tJ} and a one-band Hubbard model HHH_{H} to describe the low-energy physics of the system. HtJH_{tJ} has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in HHH_{H} to accurately describe the multi-band physics of HmH_m. Using HtJH_{tJ} and DMRG, we calculate the wave-vector resolved photoemission and discuss the relevant features in comparison with recent experiments. In agreement with previous calculations, we find that the addition of an attractive nearest-neighbor interaction of the order of the nearest-neighbor hopping shifts weight from the 3kF3 k_F to the holon-folding branch. Kinetic effects also contribute to this process.

Keywords

Cite

@article{arxiv.2303.11905,
  title  = {Effective one-band models for the 1D cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+\delta}$},
  author = {Adrian E. Feiguin and Christian Helman and Armando A. Aligia},
  journal= {arXiv preprint arXiv:2303.11905},
  year   = {2024}
}

Comments

8 pages, 4 figures