Self-doped Molecular Mott Insulator for Bilayer High-Temperature Superconducting La3Ni2O7
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arXiv
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| Autores principales: | , , , |
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| Formato: | Preprint |
| Publicado: |
2024
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| _version_ | 1866909971365494784 |
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| author | Wang, Zhan Zhang, Heng-Jia Jiang, Kun Zhang, Fu-Chun |
| author_facet | Wang, Zhan Zhang, Heng-Jia Jiang, Kun Zhang, Fu-Chun |
| contents | The bilayer structure of recently discovered high-temperature superconducting nickelates La$_3$Ni$_2$O$_7$ provides a new platform for investigating correlation and superconductivity. Starting from a bilayer Hubbard model, we show that there is a molecular Mott insulator limit formed by the bonding band owing to Hubbard interaction $U$ and large interlayer coupling. This molecular Mott insulator becomes self-doped due to electrons transferred to the antibonding bands at a weaker interlayer coupling strength. The self-doped molecular Mott insulator is similar to the doped Mott insulator studied in cuprates. We propose La$_3$Ni$_2$O$_7$ to be a self-doped molecular Mott insulator, whose molecular Mott limit is formed by two nearly degenerate antisymmetric $d_{x^2-y^2}$ and $d_{z^2}$ orbitals. Partial occupation of higher energy symmetric $d_{x^2-y^2}$ orbital leads to self-doping, which may be responsible for high-temperature superconductivity in La$_3$Ni$_2$O$_7$. The effects of Hund's coupling $J_H$ on the low-energy spectra are also studied via exact diagonalization. The proposed low-energy theory for La$_3$Ni$_2$O$_7$ is found to be valid in a wide range of $U$ and $J_H$. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_18469 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Self-doped Molecular Mott Insulator for Bilayer High-Temperature Superconducting La3Ni2O7 Wang, Zhan Zhang, Heng-Jia Jiang, Kun Zhang, Fu-Chun Strongly Correlated Electrons Superconductivity The bilayer structure of recently discovered high-temperature superconducting nickelates La$_3$Ni$_2$O$_7$ provides a new platform for investigating correlation and superconductivity. Starting from a bilayer Hubbard model, we show that there is a molecular Mott insulator limit formed by the bonding band owing to Hubbard interaction $U$ and large interlayer coupling. This molecular Mott insulator becomes self-doped due to electrons transferred to the antibonding bands at a weaker interlayer coupling strength. The self-doped molecular Mott insulator is similar to the doped Mott insulator studied in cuprates. We propose La$_3$Ni$_2$O$_7$ to be a self-doped molecular Mott insulator, whose molecular Mott limit is formed by two nearly degenerate antisymmetric $d_{x^2-y^2}$ and $d_{z^2}$ orbitals. Partial occupation of higher energy symmetric $d_{x^2-y^2}$ orbital leads to self-doping, which may be responsible for high-temperature superconductivity in La$_3$Ni$_2$O$_7$. The effects of Hund's coupling $J_H$ on the low-energy spectra are also studied via exact diagonalization. The proposed low-energy theory for La$_3$Ni$_2$O$_7$ is found to be valid in a wide range of $U$ and $J_H$. |
| title | Self-doped Molecular Mott Insulator for Bilayer High-Temperature Superconducting La3Ni2O7 |
| topic | Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2412.18469 |