High Tc superconductivity in superhard diamond-like BC5

Abstract

Using density functional theory calculations we show that the recently-synthesized, superhard diamond-like BC5 is superconducting with a critical temperature of the same order than that of MgB2. The average electron-phonon coupling is λ=0.89, the phonon-frequency logarithmic-average is <ω >=67.4 meV and the isotope coefficients are α(C)=0.3 and α(B)=0.2. In BC5, superconductivity is mostly sustained by vibrations of the B atom and its C neighbors.

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