Ab initio theory of superconductivity. II. Application to elemental metals
M. A. L. Marques, M. Lüders, N. N. Lathiotakis, G. Profeta, A. Floris, L. Fast, A. Continenza, E. K. U. Gross, S. Massidda
DOI 10.1103/PhysRevB.72.024546 · Physical Review B
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Abstract
The density functional theory for superconductors developed in the preceding article is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the transition temperature, for the gap at zero temperature, and for thermodynamic properties like the specific heat. We obtain an unprecedented agreement with experimental results. Superconductors with both strong and weak electron-phonon coupling are equally well described. This demonstrates that, as far as conventional superconductivity is concerned, the first-principles prediction of superconducting properties is feasible.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Mo Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Al Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Ta Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Nb Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
| Pb 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. | 40 | Pressure not reported | unknown |
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