Electron-phonon coupling and superconductivity in the light actinides: A first-principles study
P. González-Castelazo, R. de Coss-Martínez, O. De la Peña-Seaman, R. Heid, K.-P. Bohnen
DOI 10.1103/PhysRevB.93.104512 · Physical Review B
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Abstract
A systematic investigation of electronic, lattice dynamical, and superconducting properties of the early actinides Ac, Th, and Pa within the framework of density functional perturbation theory is presented. Spin-orbit coupling is included self-consistently in the calculation of all relevant quantities. The largest coupling constant is obtained for Ac, which with λ≈0.97 is close to the strong coupling regime, and where a sizable superconducting transition temperature of 4–5 K is predicted. For Th and Pa, a reduced λ≈0.5 is found in accordance with the observed smaller Tc. By comparing with scalar-relativistic calculations we found that spin-orbit coupling results in a hardening of the phonon spectrum for all cases. Its influence on λ is almost negligible for Ac and Pa. In contrast, for Th spin-orbit interaction invokes band splittings near the Fermi level, which reduces λ by 21%.
Source-reported materials — not catalogue approval
| Formula | Reported Tc (K) | Pressure (GPa) | Type |
|---|---|---|---|
| Th Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | 1.4 | Pressure not reported | unknown |
| Pa Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula. | — | Pressure not reported | unknown |
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