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Predicting superconductivity near 70 K in 1166-type boron-carbon clathrates at ambient pressure

Qingzhuo Duan, Lihui Zhan, Junyu Shen, Xin Zhong, Cheng Lu

DOI 10.1103/PhysRevB.109.054505 · Physical Review B

T1

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Abstract

The search for a novel superconductor exhibiting a high critical temperature (high Tc) or even near room temperature at an accessible synthetic pressure is a persistent objective for both experimental and theoretical physicists. Here, we conduct a systematic high-throughput structure search on boron-carbon clathrates at ambient pressure and uncover two stable 1166-type superconductors, RbYbB6C6 and RbBaB6C6, both exhibiting maximum Tc∼70 K. The high-Tc superconductivity in 1166-type superconductors is attributed to two key factors: an enhanced density of states at the Fermi level and the strong B-C covalent framework in boron-carbon clathrates, which enhance the electron-phonon coupling and facilitate superconductivity at temperatures near the boiling point of liquid nitrogen. These results provide a significant advancement in understanding the underlying mechanisms of superconductivity in 1166-type boron-carbon based superconductors and offer valuable avenues for the design and synthesis of advanced high-temperature superconductors at ambient conditions.

Source-reported materials — not catalogue approval

FormulaReported Tc (K)Pressure (GPa)Type
RbYbB6C6

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70Pressure unresolvedunknown
RbBaB6C6

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70Pressure unresolvedunknown
CaSrB6C6

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31Pressure unresolvedunknown
KYB6C6

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35Pressure unresolvedunknown
RbYB6C6

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35Pressure unresolvedunknown
RbLaB6C6

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30Pressure unresolvedunknown
SrBaB6C6

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42Pressure unresolvedunknown
Nb3Ge

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23Pressure not reportedunknown
H3S

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204200 GPaunknown
LaH10

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286210 GPaunknown
YH10

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303400 GPaunknown
LaBH8

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15655 GPaunknown
LaBeH8

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18520 GPaunknown
KB2H8

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14612 GPaunknown
La3Ni2O7

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80Pressure not reportedunknown

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