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 of 36.8 K for the previously suggested superconductor LiBC, however, we also propose another material LiBC with an estimated of 16.8 K. Replacing BC layers with BC in LiBC allows the electronic states to be dominant at the Fermi level for LiBC. We analyze wave-vector-resolved electron-phonon coupling parameters and suggest that LiBC may be more suitable for experimental fabrication than LiBC.
- Received 12 November 2013
DOI:https://doi.org/10.1103/PhysRevB.89.045136
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