Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$
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arXiv
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| Natura: | Preprint |
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2025
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| _version_ | 1866909984001884160 |
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| author | Wang, Jing-Xuan He, Rong-Qiang Lu, Zhong-Yi |
| author_facet | Wang, Jing-Xuan He, Rong-Qiang Lu, Zhong-Yi |
| contents | Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the superconductivity takes place in them. However, in Ba$_2$CuO$_{3+δ}$ with $δ=0.2$ and O-depleted CuO$_2$ planes, superconductivity still arises even with a transition temperature as high as 73 K. Using combined density functional theory and dynamical mean-field theory (DFT+DMFT) calculations, we investigated the electronic correlation and electronic structure of Ba$_2$CuO$_{3.25}$ with alternating quasi-one-dimensional (1D) CuO planes and O-depleted CuO$_2$ planes. We find that although different from the usual cuprates, the Cu atoms are still dominated by a 3$d^9$ configuration and the system is of a new kind of correlated single-orbital physics. The quasi-1D CuO planes, composed of parallel Cu-O chains, are slightly hole-doped quasi-1D Mott insulator, while the O-depleted CuO$_2$ planes are more hole doped, with a 2D correlated electronic structure, and may host superconductivity. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_11454 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$ Wang, Jing-Xuan He, Rong-Qiang Lu, Zhong-Yi Superconductivity Strongly Correlated Electrons Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the superconductivity takes place in them. However, in Ba$_2$CuO$_{3+δ}$ with $δ=0.2$ and O-depleted CuO$_2$ planes, superconductivity still arises even with a transition temperature as high as 73 K. Using combined density functional theory and dynamical mean-field theory (DFT+DMFT) calculations, we investigated the electronic correlation and electronic structure of Ba$_2$CuO$_{3.25}$ with alternating quasi-one-dimensional (1D) CuO planes and O-depleted CuO$_2$ planes. We find that although different from the usual cuprates, the Cu atoms are still dominated by a 3$d^9$ configuration and the system is of a new kind of correlated single-orbital physics. The quasi-1D CuO planes, composed of parallel Cu-O chains, are slightly hole-doped quasi-1D Mott insulator, while the O-depleted CuO$_2$ planes are more hole doped, with a 2D correlated electronic structure, and may host superconductivity. |
| title | Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$ |
| topic | Superconductivity Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2507.11454 |