Origin of local magnetic exchange interaction in infiite-layer nickelates
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arXiv
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| Autori principali: | , , , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2025
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| _version_ | 1866909610507501568 |
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| author | Zhou, Yanbing Zhao, Dan Zeng, Boyun Xia, Chengliang Wang, Yu Chen, Hanghui Wu, Tao Chen, Xianhui |
| author_facet | Zhou, Yanbing Zhao, Dan Zeng, Boyun Xia, Chengliang Wang, Yu Chen, Hanghui Wu, Tao Chen, Xianhui |
| contents | Significant magnetic exchange interactions have been observed in infinite-layer nickelates RNiO2 (R = La, Pr, Nd), which exhibit unconventional superconductivity upon hole doping. Despite their structural and Fermi surface similarities to cuprates, infinite-layer nickelates possess a larger charge transfer gap, which influences their magnetic exchange interactions via oxygen. In this work, we performed 17O nuclear magnetic resonance (NMR) measurements on LaNiO2 and Sr-doped LaNiO2, revealing glassy spin dynamics originating from Ni-O planes. This indicates that infinite-layer nickelates are in proximity to magnetic ordering and that magnetic correlations play a crucial role in their physics. More importantly, our analysis of the Knight shift and hyperfine coupling of 17O nuclei revealed that the Ni-Ni superexchange interaction, mediated by the σ bond between the Ni-dx2-y2 and O-p orbitals, is one order of magnitude weaker than that in cuprates. This alone cannot account for the total magnetic exchange interaction observed in nickelates. First-principles many-body calculations indicate that an interstitial s orbital near the Fermi level, coupled with the Ni-d3z2-r2 orbital, significantly enhances the superexchange interaction. This contrasts with cuprates, where magnetic interactions are predominantly governed by Cu-dx2-y2 superexchange via oxygen. Our findings provide new insights into the distinct magnetic interactions in infinite-layer nickelates and their potential role in unconventional superconductivity. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2505_09476 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Origin of local magnetic exchange interaction in infiite-layer nickelates Zhou, Yanbing Zhao, Dan Zeng, Boyun Xia, Chengliang Wang, Yu Chen, Hanghui Wu, Tao Chen, Xianhui Superconductivity Strongly Correlated Electrons Significant magnetic exchange interactions have been observed in infinite-layer nickelates RNiO2 (R = La, Pr, Nd), which exhibit unconventional superconductivity upon hole doping. Despite their structural and Fermi surface similarities to cuprates, infinite-layer nickelates possess a larger charge transfer gap, which influences their magnetic exchange interactions via oxygen. In this work, we performed 17O nuclear magnetic resonance (NMR) measurements on LaNiO2 and Sr-doped LaNiO2, revealing glassy spin dynamics originating from Ni-O planes. This indicates that infinite-layer nickelates are in proximity to magnetic ordering and that magnetic correlations play a crucial role in their physics. More importantly, our analysis of the Knight shift and hyperfine coupling of 17O nuclei revealed that the Ni-Ni superexchange interaction, mediated by the σ bond between the Ni-dx2-y2 and O-p orbitals, is one order of magnitude weaker than that in cuprates. This alone cannot account for the total magnetic exchange interaction observed in nickelates. First-principles many-body calculations indicate that an interstitial s orbital near the Fermi level, coupled with the Ni-d3z2-r2 orbital, significantly enhances the superexchange interaction. This contrasts with cuprates, where magnetic interactions are predominantly governed by Cu-dx2-y2 superexchange via oxygen. Our findings provide new insights into the distinct magnetic interactions in infinite-layer nickelates and their potential role in unconventional superconductivity. |
| title | Origin of local magnetic exchange interaction in infiite-layer nickelates |
| topic | Superconductivity Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2505.09476 |