Charge and spin instabilities in superconducting La$_3$Ni$_2$O$_7$
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| Main Authors: | , , , , |
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| Format: | Preprint |
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2023
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| _version_ | 1866915116472074240 |
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| author | Chen, Xuejiao Jiang, Peiheng Li, Jie Zhong, Zhicheng Lu, Yi |
| author_facet | Chen, Xuejiao Jiang, Peiheng Li, Jie Zhong, Zhicheng Lu, Yi |
| contents | Motivated by the recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ under high pressure, we explore its potential charge and spin instabilities through combined model analysis and first-principles calculations. Taking into account the small charge-transfer nature of high valence nickel, a fully correlated two-cluster model identifies a lattice-coupled charge instability characterized by substantial short-range fluctuations of oxygen holes. This instability is corroborated by density-functional-theory plus $U$ calculations that also reveal a strong tendency towards concurrent antiferromagnetic ordering. The charge, spin, and associated lattice instabilities are significantly suppressed with increasing external pressure, contributing to the emergence of superconductivity in pressurized La$_3$Ni$_2$O$_7$. Carrier doping is found to effectively suppress these instabilities, suggesting a viable strategy to stabilize a superconducting phase under ambient pressure. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2307_07154 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Charge and spin instabilities in superconducting La$_3$Ni$_2$O$_7$ Chen, Xuejiao Jiang, Peiheng Li, Jie Zhong, Zhicheng Lu, Yi Superconductivity Strongly Correlated Electrons Motivated by the recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ under high pressure, we explore its potential charge and spin instabilities through combined model analysis and first-principles calculations. Taking into account the small charge-transfer nature of high valence nickel, a fully correlated two-cluster model identifies a lattice-coupled charge instability characterized by substantial short-range fluctuations of oxygen holes. This instability is corroborated by density-functional-theory plus $U$ calculations that also reveal a strong tendency towards concurrent antiferromagnetic ordering. The charge, spin, and associated lattice instabilities are significantly suppressed with increasing external pressure, contributing to the emergence of superconductivity in pressurized La$_3$Ni$_2$O$_7$. Carrier doping is found to effectively suppress these instabilities, suggesting a viable strategy to stabilize a superconducting phase under ambient pressure. |
| title | Charge and spin instabilities in superconducting La$_3$Ni$_2$O$_7$ |
| topic | Superconductivity Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2307.07154 |