Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures
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arXiv
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| Main Authors: | , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866908460969361408 |
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| author | Yue, Changming Miao, Jian-Jian Huang, Haoliang Hua, Yichen Li, Peng Li, Yueying Zhou, Guangdi Lv, Wei Yang, Qishuo Sun, Hongyi Sun, Yu-Jie Lin, Junhao Xue, Qi-Kun Chen, Zhuoyu Chen, Wei-Qiang |
| author_facet | Yue, Changming Miao, Jian-Jian Huang, Haoliang Hua, Yichen Li, Peng Li, Yueying Zhou, Guangdi Lv, Wei Yang, Qishuo Sun, Hongyi Sun, Yu-Jie Lin, Junhao Xue, Qi-Kun Chen, Zhuoyu Chen, Wei-Qiang |
| contents | The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we construct a realistic multi-orbital Hubbard model for the thin-film system, by integrating ab initio calculations with scanning transmission electron microscopy (STEM) measurements, which reveal a higher-symmetry lattice. The interaction parameters are calculated with the constrained random phase approximation (cRPA). Density functional theory (DFT) plus cluster dynamical mean-field theory (CDMFT) calculations, with cRPA calculated on-site Coulomb repulsive $U$ and experimentally measured electron filling $n$, quantitatively reproduces Fermi surfaces from angle-resolved photoemission spectroscopy (ARPES) experiments. The distinct Fermi surface topology from simple DFT+$U$ results features the indispensable role of correlation effects. Based upon the correlated electronic structures, A modified random-phase-approximation (RPA) approach yields a pronounced $s^{\pm}$-wave pairing instability, due to the strong spin fluctuations originated from Fermi surface nesting between bands with predominantly $d_{z^{2}}$ characters. Our findings highlight the quantitative effectiveness of the DFT+cRPA+CDMFT approach that precisely determines correlated electronic structure parameters without fine-tuning. The revealed intermediate correlation effect may explain the same order-of-magnitude onset $T_C$ observed both in pressured bulk and strained thin film bilayer nickelates. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2501_06875 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures Yue, Changming Miao, Jian-Jian Huang, Haoliang Hua, Yichen Li, Peng Li, Yueying Zhou, Guangdi Lv, Wei Yang, Qishuo Sun, Hongyi Sun, Yu-Jie Lin, Junhao Xue, Qi-Kun Chen, Zhuoyu Chen, Wei-Qiang Strongly Correlated Electrons Superconductivity The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we construct a realistic multi-orbital Hubbard model for the thin-film system, by integrating ab initio calculations with scanning transmission electron microscopy (STEM) measurements, which reveal a higher-symmetry lattice. The interaction parameters are calculated with the constrained random phase approximation (cRPA). Density functional theory (DFT) plus cluster dynamical mean-field theory (CDMFT) calculations, with cRPA calculated on-site Coulomb repulsive $U$ and experimentally measured electron filling $n$, quantitatively reproduces Fermi surfaces from angle-resolved photoemission spectroscopy (ARPES) experiments. The distinct Fermi surface topology from simple DFT+$U$ results features the indispensable role of correlation effects. Based upon the correlated electronic structures, A modified random-phase-approximation (RPA) approach yields a pronounced $s^{\pm}$-wave pairing instability, due to the strong spin fluctuations originated from Fermi surface nesting between bands with predominantly $d_{z^{2}}$ characters. Our findings highlight the quantitative effectiveness of the DFT+cRPA+CDMFT approach that precisely determines correlated electronic structure parameters without fine-tuning. The revealed intermediate correlation effect may explain the same order-of-magnitude onset $T_C$ observed both in pressured bulk and strained thin film bilayer nickelates. |
| title | Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures |
| topic | Strongly Correlated Electrons Superconductivity |
| url | https://arxiv.org/abs/2501.06875 |