Electron-phonon coupling and superconductivity in Li-intercalated layered borocarbide compounds
Timur Bazhirov, Yuki Sakai, Susumu Saito, Marvin L. Cohen
DOI 10.1103/PhysRevB.89.045136 · Physical Review B
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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 Tc of 36.8 K for the previously suggested superconductor Li2B3C, however, we also propose another material Li4B5C3 with an estimated Tc of 16.8 K. Replacing BC layers with BC3 in Li2B3C allows the π electronic states to be dominant at the Fermi level for Li4B5C3. We analyze wave-vector-resolved electron-phonon coupling parameters and suggest that Li4B5C3 may be more suitable for experimental fabrication than Li2B3C.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Li2B3C Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 36.8 | Pressure not reported | unknown |
| Li4B5C3 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 16.8 | Pressure not reported | unknown |
| KC8 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 39 | Pressure not reported | unknown |
| Li0.5BC Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 100 | Pressure not reported | unknown |
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