Auger-Meitner Recombination in Semiconductors from First Principles

ORAL

Abstract

Auger-Meitner recombination (AMR) is an intrinsic, non-radiative recombination process that affects device performance in applications such as light emitting diodes and solar cells. Unfortunately, studying the contributions from direct and phonon-assisted mechanisms is challenging experimentally. To this end we have developed a computational methodology and software to calculate the AMR coefficients from first principles, enabling the focused study and analysis of both direct and phonon-assisted AMR in bulk semiconductor materials. We apply different parallelization schemes for the various AMR mechanisms, enabling efficient AMR calculations for any bulk semiconductor. We have demonstrated the utility of our methodology in recent studies of silicon,[1,2] indium phosphide, and AlGaN, providing previously inaccessible insights into the AMR mechanisms in these important semiconducting materials.



[1] Phys. Rev. Lett. 131, 076902 (2023)

[2] arXiv:2309:09927 (2023)

* The work is supported by the DOE, Basic Energy Sciences under Award DE-SC0020129. This work used NERSC resources under Contract DEAC02–05CH11231. K.B. acknowledges the support of the DOE, Office of Advanced Scientific Computing Research, Computational Science Graduate Fellowship under Award DE-SC0020347. This talk is prepared under the auspices of LLNL under Contract DE-AC52-07NA27344.

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Publication: Phys. Rev. Lett. 131, 076902 (2023)
arXiv:2309:09927 (2023)

Presenters

  • Kyle M Bushick

    University of Michigan

Authors

  • Kyle M Bushick

    University of Michigan

  • Amanda X Wang

    University of Michigan

  • Nick Pant

    University of Michigan, University of Texas at Austin

  • Emmanouil Kioupakis

    University of Michigan