Superconductivity in compressed ternary alkaline boron hydrides
Simin Li, Haiyan Wang, Weiguo Sun, Cheng Lu, Feng Peng
DOI 10.1103/PhysRevB.105.224107 · Physical Review B
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Abstract
Recently, the carbonaceous sulfur hydride was synthesized [E. Snider et al., Nature (London) 586, 373 (2020)], and the measured superconducting transition temperature (Tc) is about 278 K under 267 GPa, placing it as a promising candidate of the room temperature superconductor. However, the ultrahigh synthesis pressure is indeed a challenge for experimental technique, stimulating us to search other high temperature superconductors under relatively low pressure. Here we perform comprehensively structural searches of ternary alkaline (Am) boron hydrides. Our calculations indicate that the ternary AmB2H8 hydrides are energetically stable at about 10 GPa. Interestingly, the metallic Rb/CsB2H8 polyhydrides are superior superconductors with high Tc of ∼100 K at 25 GPa. The electron-phonon coupling calculations suggest that the Am atoms are promising electron contributors, which effectively improve the Tc and decrease the synthesized pressure in complex hydrides. These findings elucidate the superconductivity mechanism of AmB2H8 hydrides and offer crucial insights for design and synthesis of novel superconductors.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| KB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 100.6 | 25 GPa | unknown |
| KB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 134 | 12 GPa | unknown |
| RbB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 100.91 | 15 GPa | unknown |
| RbB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 104.79 | 25 GPa | unknown |
| RbB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 75.42 | 50 GPa | unknown |
| CsB2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 106 | 25 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 |
| SiH4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 28 | 400 GPa | unknown |
| GeH4 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 64 | 220 GPa | unknown |
| (H2S)2H2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 204 | 200 GPa | unknown |
| LiH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 82 | 300 GPa | unknown |
| KH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 70 | 166 GPa | unknown |
| BeH2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 38 | 250 GPa | unknown |
| LiMg2H16 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 473 | 250 GPa | unknown |
| YCaH12 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 230 | 180 GPa | unknown |
| (La,Y)H10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 253 | 183 GPa | unknown |
| LiPH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 167 | 200 GPa | unknown |
| LaBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 185 | 20 GPa | unknown |
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