Charge and spin instabilities in superconducting La3Ni2O7
Xuejiao Chen, Peiheng Jiang, Jie Li, Zhicheng Zhong, Yi Lu
DOI 10.1103/PhysRevB.111.014515 · Physical Review B
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Abstract
Motivated by the recent discovery of superconductivity in La3Ni2O7 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 periodicity-two 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 La3Ni2O7. Carrier doping and chemical substitution at the La site is found to effectively suppress these instabilities, suggesting a viable strategy to stabilize a superconducting phase under ambient pressure.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| La3Ni2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 80 | Pressure not reported | unknown |
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