First-principles calculation of superconductivity in hole-doped LiBC: Tc=65K
J. K. Dewhurst, S. Sharma, C. Ambrosch-Draxl, B. Johansson
DOI 10.1103/PhysRevB.68.020504 · Physical Review B
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Abstract
The lattice-dynamical properties of LixBC are calculated for several values of x using density-functional perturbation theory. We find that the electron-phonon coupling parameter λ increases monotonically with decreasing x to a maximum value of 1.4 for x=0.125, owing to the increasing radius of multiply nested Fermi surface cylinders. The B-C bond-stretching phonon modes have frequencies that are 28% higher than the equivalent modes in MgB2. This combination results in a Tc of about 65 K for x=0.5.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Li0.5BC Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 65 | Pressure not reported | unknown |
| Li0.125BC Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 68 | Pressure not reported | unknown |
| Li0.75BC Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 49 | Pressure not reported | unknown |
| MgB2 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 40 | Pressure not reported | unknown |
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