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Trap-Assisted Auger-Meitner Recombination from First Principles.

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Trap-assisted Auger-Meitner recombination significantly impacts optoelectronic device efficiency, especially in wide-band-gap materials. This study introduces a method to calculate these rates, revealing their dominance over multiphonon emission.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Optoelectronics

Background:

  • Trap-assisted nonradiative recombination limits optoelectronic device efficiency.
  • Multiphonon emission (MPE) alone cannot explain efficiency losses in wide-band-gap materials.

Purpose of the Study:

  • Highlight the role of trap-assisted Auger-Meitner (TAAM) recombination.
  • Develop a first-principles methodology to calculate TAAM rates.
  • Assess TAAM's impact on light emitter efficiency.

Main Methods:

  • Developed a first-principles computational formalism for TAAM rate calculation.
  • Applied the formalism to a calcium impurity in InGaN.
  • Analyzed recombination cycles including TAAM and MPE.

Main Results:

  • TAAM rates are orders of magnitude larger than MPE rates in wide-band-gap materials (>2.5 eV).
  • TAAM is identified as a dominant nonradiative process in these materials.
  • The computational formalism is general for semiconductors and insulators.

Conclusions:

  • TAAM is a critical factor in nonradiative recombination in wide-band-gap optoelectronics.
  • The developed methodology enables accurate TAAM rate prediction.
  • This work provides insights for designing more efficient optoelectronic devices.