Trap-Assisted Auger-Meitner Recombination from First Principles
arXiv:2211.08642 · doi:10.1103/PhysRevLett.131.056402
Abstract
Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic devices, but the conventional multi-phonon emission (MPE) process fails to explain the observed loss in wide-band-gap materials. Here we highlight the role of trap-assisted Auger-Meitner (TAAM) recombination, and present a first-principles methodology to determine TAAM rates due to defects or impurities in semiconductors or insulators. We assess the impact on efficiency of light emitters in a recombination cycle that may include both TAAM and carrier capture via MPE. We apply the formalism to the technologically relevant case study of a calcium impurity in InGaN, where a Shockley-Read-Hall recombination cycle involving MPE alone cannot explain the experimentally observed nonradiative loss. We find that, for band gaps larger than 2.5 eV, the inclusion of TAAM results in recombination rates that are orders of magnitude larger than recombination rates based on MPE alone, demonstrating that TAAM can be a dominant nonradiative process in wide-band-gap materials. Our computational formalism is general and can be applied to the calculation of TAAM rates in any semiconducting or insulating material.
References in corpus (7)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- First-principles theory of nonradiative carrier capture via multiphonon emission
- First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO
- Low Temperature Studies of Charge Dynamics of Nitrogen-Vacancy Defect in Diamond
- Photoionization of negatively charged NV centers in diamond: theory and ab initio calculations
- Evidence for trap-assisted Auger recombination in MBE grown InGaN quantum wells by electron emission spectroscopy
- Design rule for the emission linewidth of Eu-activated phosphors