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Prediction of phonon-mediated superconductivity in borophene

Miao Gao, Qi-Zhi Li, Xun-Wang Yan, Jun Wang

DOI 10.1103/PhysRevB.95.024505 · Physical Review B

T1

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Abstract

Superconductivity in two-dimensional compounds is widely studied, not only because of its application in constructing nano-superconducting devices, but also for general scientific interest. Very recently, borophene (a two-dimensional boron sheet) has been successfully grown on the Ag(111) surface, through direct evaporation of a pure boron source. The experiment unveiled two types of borophene structures, namely β12 and χ3. Herein, we employed density-functional first-principles calculations to investigate the electron-phonon coupling and superconductivity in both structures of borophene. The band structures of β12 and χ3 borophenes exhibit inherent metallicity. We found that electron-phonon coupling constants in the two compounds are larger than that in MgB2. The superconducting transition temperatures were determined to be 18.7 K and 24.7 K through the McMillian-Allen-Dynes formula. These temperatures are much higher than the theoretically predicted 8.1 K and experimentally observed 7.4 K superconductivity in graphene. Our findings will enrich nano-superconducting device applications and boron-related materials science.

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FormulaReported Tc (K)Pressure (GPa)Type
LiC6

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8.1Pressure not reportedunknown
CaC6

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1.4Pressure not reportedunknown
LiC6

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7.4Pressure not reportedunknown
CaC6

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6Pressure not reportedunknown

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