Spin-resolved electron-phonon coupling in FeSe

ORAL

Abstract

FeSe is one of the simplest iron-based superconductors. There are previous studies indicating that including the iron magnetic moment ordering has a significant effect on electron-phonon interactions and thus might be important for superconductivity. To explore the role of spin-dependent phonon induced pairing of the electrons, we apply first principle techniques based on the pseudopotential density functional approach and the local spin density approximation to calculate the electron-phonon coupling properties of FeSe. Our results indicate that introducing magnetic moments leads to a significant increase in coupling at least for certain phonon modes. At the gamma point in the Brillouin zone the increase is two-fold. Both phonon renormalization and electron-phonon matrix elements increases are present.

*This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by DOE at Lawrence Berkeley National Laboratory's NERSC facility

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Authors

  • Timur Bazhirov

    • University of California Berkeley

  • Jesse Noffsinger

    • University of California Berkeley

  • Marvin L. Cohen

    • University of California at Berkeley and Lawrence Berkeley National Laboratory
    • University of California, Berkeley
    • University of California Berkeley
    • University of California at Berkeley and Lawrence Berkeley National Lab
    • Department of Physics, University of California, Berkeley, and Materials Science Division, Lawrence Berkeley National Laboratory