Second group of high-pressure high-temperature lanthanide polyhydride superconductors
Weiguo Sun, Xiaoyu Kuang, Harry D. J. Keen, Cheng Lu, Andreas Hermann
DOI 10.1103/PhysRevB.102.144524 · Physical Review B
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Abstract
Rare-earth polyhydrides formed under pressure are promising conventional superconductors, with the critical temperature Tc in compressed LaH10 almost reaching room temperature. Here, we report a systematic computational investigation of the structural and superconducting properties of rare-earth (RE) polyhydrides formed under pressure across the whole lanthanide series. Analyses of the electronic and dynamical properties and electron-phonon coupling interaction for the most hydrogen-rich hydrides REHn (n=8,9,10) that can be stabilized below 400 GPa show that enhanced Tc correlates with a high density of H s states and low number of RE f states at the Fermi level. In addition to previously predicted and measured LaH10 and CeH9, we suggest YbH10 and LuH8 as additional potential high-Tc superconducters. They form a “second island” of high-Tc superconductivity amongst the late lanthanide polyhydrides, with an estimated Tc of 102 K for YbH10 at 250 GPa.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 250 | 170 GPa | unknown |
| LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 223.9 | 250 GPa | unknown |
| CeH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 86.8 | 250 GPa | unknown |
| CeH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 43.8 | 250 GPa | unknown |
| PrH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.4 | 400 GPa | unknown |
| NdH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.7 | 400 GPa | unknown |
| PmH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.9 | 250 GPa | unknown |
| PmH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.3 | 250 GPa | unknown |
| SmH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2 | 250 GPa | unknown |
| SmH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 5.8 | 250 GPa | unknown |
| EuH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 0.9 | 200 GPa | unknown |
| EuH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.3 | 250 GPa | unknown |
| EuH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.9 | 250 GPa | unknown |
| GdH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 2.3 | 300 GPa | unknown |
| TbH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.4 | 250 GPa | unknown |
| YbH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 102 | 250 GPa | unknown |
| YbH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 80 | 250 GPa | unknown |
| LuH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 86 | 300 GPa | 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. | 235 | 150 GPa | unknown |
| YH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 290 | 300 GPa | unknown |
| YH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 326 | Pressure not reported | unknown |
| PrH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 9 | Pressure not reported | unknown |
| NdH9 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 4.5 | Pressure not reported | unknown |
| HoH4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 36.4 | Pressure not reported | unknown |
| ErH15 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 31.5 | Pressure not reported | unknown |
| LuH12 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 6.7 | Pressure not reported | unknown |
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