Effective one-band models for the 1D cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$
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arXiv
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| Autori principali: | , , |
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| Natura: | Preprint |
| Pubblicazione: |
2023
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| author | Feiguin, Adrian E. Helman, Christian Aligia, Armando A. |
| author_facet | Feiguin, Adrian E. Helman, Christian Aligia, Armando A. |
| contents | We consider a multiband Hubbard model $H_m$ for Cu and O orbitals in Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$ 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 $t-J$ model $H_{tJ}$ and a one-band Hubbard model $H_{H}$ to describe the low-energy physics of the system. $H_{tJ}$ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in $H_{H}$ to accurately describe the multi-band physics of $H_m$. Using $H_{tJ}$ 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 $3 k_F$ to the holon-folding branch. Kinetic effects also contribute to this process. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2303_11905 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Effective one-band models for the 1D cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$ Feiguin, Adrian E. Helman, Christian Aligia, Armando A. Strongly Correlated Electrons We consider a multiband Hubbard model $H_m$ for Cu and O orbitals in Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$ 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 $t-J$ model $H_{tJ}$ and a one-band Hubbard model $H_{H}$ to describe the low-energy physics of the system. $H_{tJ}$ has the advantage of having a smaller relevant Hilbert space, facilitating numerical calculations, while additional terms should be included in $H_{H}$ to accurately describe the multi-band physics of $H_m$. Using $H_{tJ}$ 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 $3 k_F$ to the holon-folding branch. Kinetic effects also contribute to this process. |
| title | Effective one-band models for the 1D cuprate Ba$_{2-x}$Sr$_x$CuO$_{3+δ}$ |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2303.11905 |