Electron-phonon interactions and photoemission kink in cuprates: A <i>GW</i> perturbation theory study

ORAL

Abstract

The nexus of electron-phonon (e-ph) and many-electron interactions plays an important role in shaping the electron spectral function. We present first-principles calculations of the observed photoemission kink in cuprates using our recently developed method for e-ph coupling, the GW perturbation theory (GWPT) [1]. In this approach, the e-ph coupling is calculated using linear-response theory within the ab initio GW method, combined with Wannier interpolation technique. We find that self-energy effects significantly renormalize the e-ph interactions in the cuprates, giving rise to dramatic changes in the strength of the photoemission kink as compared with results from standard density-functional perturbation theory.

[1] Z. Li, G. Antonius, M. Wu, F. H. da Jornada, and S. G. Louie, Phys. Rev. Lett. 122, 186402 (2019).

*This work was supported by the Theory of Materials Program and by the Center for Computational Study of Excited-State Phenomena in Energy Materials (C2SEPEM) at the Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231, and by the National Science Foundation. Computational resources have been provided by NERSC and XSEDE.

–

Presenters

  • Zhenglu Li

    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory

Authors

  • Zhenglu Li

    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Meng Wu

    • University of California, Berkeley
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Yang-hao Chan

    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Lawrence Berkeley National Laboratory

  • Steven Louie

    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, UC Berkeley
    • Physics, Unviersyt of Calfornia, Berkeley
    • Physics, University of California, Berkeley
    • Physics, University of California, Berkeley and Lawrence Berkeley National Lab