Abstract
We explore the electron-phonon coupling and possible superconductivity in Li-intercalated borocarbide materials using precise Wannier interpolation-based first-principles technique. We find a ${T}_{c}$ of 36.8 K for the previously suggested superconductor Li${}_{2}$B${}_{3}$C, however, we also propose another material Li${}_{4}$B${}_{5}$C${}_{3}$ with an estimated ${T}_{c}$ of 16.8 K. Replacing BC layers with BC${}_{3}$ in Li${}_{2}$B${}_{3}$C allows the $\ensuremath{\pi}$ electronic states to be dominant at the Fermi level for Li${}_{4}$B${}_{5}$C${}_{3}$. We analyze wave-vector-resolved electron-phonon coupling parameters and suggest that Li${}_{4}$B${}_{5}$C${}_{3}$ may be more suitable for experimental fabrication than Li${}_{2}$B${}_{3}$C.
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