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Dresden 2011 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 7: SC: Properties, Electronic Structure, Mechanisms 2

TT 7.1: Talk

Monday, March 14, 2011, 14:00–14:15, HSZ 301

Importance of spin-orbit coupling for the electron-phonon interaction of the strong-coupling superconductor Pb — •Rolf Heid1, Klaus-Peter Bohnen1, Irina Sklyadneva2,1, and Evgeni Chulkov21Karlsruher Institut für Technologie, Institut für Festkörperphysik — 2Donostia International Physics Center, San Sebastian, Spain

Electron-phonon coupling (EPC) properties can nowadays be calculated routinely from first principles within a DFT-based linear-response approach. All previous studies, however, have been carried out in a semi-relativistic framework, which does not take into account the effects of spin-orbit coupling (SOC). Based on a recent implementation of the SOC for linear response calculations within a mixed-basis pseudopotential approach [1], we analyze the effect of SOC on the EPC for the prototype strong-coupling superconductor Pb. We find that SOC increases the coupling constant λ by 44%, solving the longstanding puzzle of too small λ values obtained consistently in previous first principles calculations. The origin of the SOC-induced enhancement of λ lies both in a softening of the phonon spectrum and in an increase of the EPC matrix elements, which significantly improves the agreement with tunneling experiments. We also find a large influence of SOC on phonon-induced electronic self-energies and lifetimes. Finally, consequences for EPC properties of thin Pb films will be discussed.
R. Heid, K.-P. Bohnen, I. Yu. Sklyadneva, E. V. Chulkov, Phys. Rev. B 81, 174527 (2010)

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