Pressure-induced superconductivity and electride states in lithium-gallium compounds
Ting Zhong, Jiahui Wei, Jiance Sun, Xin Zhong, Li Zhu, Xin Chen, Xiaobing Liu, Hanyu Liu, Shoutao Zhang
DOI 10.1103/lf3k-r97c · Physical Review B
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Abstract
Li-based materials have garnered significant attention due to their diverse configurations, engaging electronic structures, and promising applications. Based on first-principles predictions, we identified several unusual stoichiometric lithium-gallium metallic phases under pressure, e.g., LiGa3 and Li6Ga. Strikingly, the LiGa3 with cubic symmetry and Ga6 octahedron is estimated to hold a superconducting critical temperature (Tc) of 6.5 K at atmospheric pressure, exceeding the representative superconductor mercury and the boiling point of liquid helium, deriving from the coupled interaction of Ga 4p electrons at the Fermi level with the low-frequency Ga atomic vibrations. Remarkably, the Li6Ga exhibits pressure-driven structural transitions accompanied by the evolution of interstitial anionic electrons (IAEs) topologies: the zero-dimensional IAEs in ambient-pressure R-3 phase is converted into the one-dimensional (1D) IAEs in the compressed C2/m and R−3m phases, and the 1D IAEs and the valence electrons of Ga constitute a conducting network. Unexpectedly, the coexistence of electride and superconductivity states is uncovered in Li6Ga, and R−3m Li6Ga has the highest Tc (15.2 K at 240 GPa) among Li-Ga superconductors, originating from the coupling between the Li 2p and Ga 4p states and the Li-dominated softened phonon modes at low frequencies. These findings provide design guidance for future exploration of emerging superconductor materials.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LiGa3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.5 | Pressure unresolved | unknown |
| Li6Ga Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 15.2 | 240 GPa | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 39 | Pressure unresolved | unknown |
| La3Ni2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 42 | Pressure unresolved | unknown |
| (La,Pr)3Ni2O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 45 | Pressure unresolved | unknown |
| H3S Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 203 | 155 GPa | unknown |
| CaH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 215 | 172 GPa | unknown |
| LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 260 | 188 GPa | unknown |
| [Ca24Al28O64]4+(4e-) Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.4 | Pressure unresolved | unknown |
| Nb5Ir3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9.4 | Pressure unresolved | unknown |
| Zr5Sb3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.3 | Pressure unresolved | unknown |
| Ca2H Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 11 | 30 GPa | unknown |
| Sc4H Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.7 | 50 GPa | unknown |
| Li6C Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 10 | 80 GPa | unknown |
| Li5N Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 48.97 | 150 GPa | unknown |
| Li7As Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 38.4 | 150 GPa | unknown |
| Li5Si Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.1 | Pressure unresolved | unknown |
| Li10Si Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 14.7 | 95 GPa | unknown |
| Li5C Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.7 | 95 GPa | unknown |
| Li6P Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 39.3 | 270 GPa | unknown |
| Li5He2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 26 | 210 GPa | unknown |
| Li6Al Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 29 | 150 GPa | unknown |
| Li4Rh Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 108.2 | 300 GPa | unknown |
| Li5Sn Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.5 | Pressure unresolved | unknown |
| Li5Ge Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.9 | 25 GPa | unknown |
| Li10Ge Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 8.5 | 50 GPa | unknown |
| Ga Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.9 | Pressure unresolved | unknown |
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