Dresden 2014 – scientific programme
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TT: Fachverband Tiefe Temperaturen
TT 93: Superconductivity: (General) Theory
TT 93.5: Talk
Thursday, April 3, 2014, 17:30–17:45, HSZ 201
Electron-phonon coupling of light-actinides: effect of spin-orbit coupling — Paola González-Castelazo1, •Omar De la Peña-Seaman1, Rolf Heid2, and Klaus-Peter Bohnen2 — 1Benemérita Universidad Autónoma de Puebla (BUAP), Institute of Physics (IFUAP), México — 2Karlsruher Institut für Technologie (KIT), Institut für Festkörperphysik (IFP), Germany
The physics of actinide metals is quite complex and rich due to the behavior of 5f electrons in the valence region: it goes from itinerant on the early stages of the actinide series to highly localized for the elements with a higher number of 5f electrons involved. In addition, in this systems should be mandatory the inclusion of spin-orbit coupling (SOC). However, only in few cases on electronic and lattice dynamical properties the SOC has been taking into account, while for the electron-phonon (e-ph) coupling such analysis has not been performed so far. Thus, as a first approach we have systematically studied the SOC influence on the full-phonon dispersion and the e-ph coupling for the simplest light-actinide metals: Ac and Th. These elements have been studied within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method. The full-phonon dispersion as well as the Eliashberg spectral function and the electron-phonon coupling parameter have been calculated with and without SOC. The observed effects of SOC in the full-phonon dispersion and Eliashberg function are discussed in detail, together with an analysis of the differences on the electronic properties due to the SOC inclusion in the calculations.