Ambient-pressure high-Tc superconductivity in doped boron-nitrogen clathrates La(BN)5 and Y(BN)5
Han-Bin Ding, Yu-Jie Feng, Meng-Jing Jiang, Hui-Li Tian, Guo-Hua Zhong, Chun-Lei Yang, Xiao-Jia Chen, Hai-Qing Lin
DOI 10.1103/PhysRevB.106.104508 · Physical Review B
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Abstract
LaH10 exhibits the near-room-temperature superconductivity, but the high fabrication pressure exceeding 200 GPa limits the possibility of its experimental research and application. To examine the feasibility of high-temperature superconductivity at ambient pressure in light-element compounds, we study the crystal structure, metallization, and electron-phonon interaction of M(BN)5 (M = La and Y) with LaH10-like clathrate configuration, based on the first-principles calculations. The result shows that adopting B and N to substitute H, the strong sp3 hybridization between B and N greatly reduces the pressure to keep the dynamical stability. We predict that the strong electron-phonon coupling exists in M(BN)5 and the Tc values of La(BN)5 and Y(BN)5 reach 69 and 59 K at ambient pressure, respectively. As a result, the high-temperature superconductivity at ambient pressure in clathrate BN compounds has been proved theoretically, which provides a way to lower the work pressure of hydride superconductors.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| La(BN)5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 69.2 | Pressure unresolved | unknown |
| Y(BN)5 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 59.1 | Pressure unresolved | unknown |
| LaH10 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 255 | 175 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 |
| YH6 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 224 | 166 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 |
| LaBH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 141 | 52.5 GPa | unknown |
| LaC2H8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 69 | 70 GPa | unknown |
| LaBeH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 158 | 20 GPa | unknown |
| SrSiH8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 126 | 27 GPa | unknown |
| Ca(BC)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 48 | Pressure unresolved | unknown |
| Sr(BC)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 42 | Pressure unresolved | unknown |
| Ba(BC)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 43 | Pressure unresolved | unknown |
| Ba0.5Sr0.5(BC)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 75 | Pressure unresolved | unknown |
| Al(BN)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 72 | Pressure unresolved | unknown |
| Al0.5(BN)3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 47 | Pressure unresolved | unknown |
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