Anisotropic multi-orbital Hubbard model simulated with impurity approximation
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arXiv
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| Autores principales: | , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866914959788605440 |
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| author | Peng, Yan Jiang, Mi |
| author_facet | Peng, Yan Jiang, Mi |
| contents | Motivated by the recent experimental findings on the orbital ordering of cuprate SC, we have investigated the multi-orbital Hubbard model in the framework of Cu impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$ multiplet structure coupled to a full O-2p band.Our systematic investigation on the impact of anisotropy of various parameters reveal rich phenomena in terms of the ground state (GS) weight asymmetry between $\hat{x}$ and $\hat{y}$ directions.The numerical evidence demonstrate that the GS weight of Zhang-Rice singlet (ZRS) can be affected by the asymmetry of these parameters to distinct extent. Although the experimentally motivated asymmetric charge transfer energy only induces tiny weight difference, the asymmetric $d$-$p$ hybridization can result in considerable change of the weight. Besides, the nearest-neighbor $V_{pd}$ has much stronger impact than the local $U_{pp}$, which stems from the nature of ZRS consisting of nearest-neighbor two holes. Our systematic exploration provide valuable knowledge on the role of the artificial symmetry breaking on the two-hole GS nature and serves as the starting point of more sophisticated many-body simulations to uncover more interesting physics of multi-orbital Hubbard model within the symmetry breaking setup. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2409_19199 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Anisotropic multi-orbital Hubbard model simulated with impurity approximation Peng, Yan Jiang, Mi Strongly Correlated Electrons Motivated by the recent experimental findings on the orbital ordering of cuprate SC, we have investigated the multi-orbital Hubbard model in the framework of Cu impurity approximation embedded in the O lattice by incorporating the 3d$^{8}$ multiplet structure coupled to a full O-2p band.Our systematic investigation on the impact of anisotropy of various parameters reveal rich phenomena in terms of the ground state (GS) weight asymmetry between $\hat{x}$ and $\hat{y}$ directions.The numerical evidence demonstrate that the GS weight of Zhang-Rice singlet (ZRS) can be affected by the asymmetry of these parameters to distinct extent. Although the experimentally motivated asymmetric charge transfer energy only induces tiny weight difference, the asymmetric $d$-$p$ hybridization can result in considerable change of the weight. Besides, the nearest-neighbor $V_{pd}$ has much stronger impact than the local $U_{pp}$, which stems from the nature of ZRS consisting of nearest-neighbor two holes. Our systematic exploration provide valuable knowledge on the role of the artificial symmetry breaking on the two-hole GS nature and serves as the starting point of more sophisticated many-body simulations to uncover more interesting physics of multi-orbital Hubbard model within the symmetry breaking setup. |
| title | Anisotropic multi-orbital Hubbard model simulated with impurity approximation |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2409.19199 |