- Letter
Mechanism of defect generation in ionizing-irradiated -: The nonradiative carrier capture–structural relaxation model
Phys. Rev. Applied 24, L041004 – Published 24 October, 2025
DOI: https://doi.org/10.1103/9y5y-61ps
Abstract
The total ionizing dose (TID) effect of semiconductor devices stems from radiation-induced defects in the - dielectrics, but the conventional “hole-transport-trapping” model of defect generation fails to explain recent basic experiments. Here, we propose an alternative “nonradiative carrier capture–structural relaxation” (NCCSR) mechanism that can consistently explain the puzzling temperature and electric-field dependence. To this end, we have made spin-polarized HSE06 hybrid functional and full phonon spectrum calculations alignment of defect formation energies and charge capture cross sections of large-sample oxygen vacancies in -. It is revealed that, the long-assumed precursors with high formation energy cannot survive in high-temperature-grown -; whereas the stable can capture irradiation-induced holes via strong electron-phonon coupling, generating metastable that most relax into stable . A fractional power-law dynamic model is derived based on the mechanism and the Kohlrausch-Williams-Watts decay function. It can uniformly describe nonlinear data over a wide dose and temperature range. This work not only provides a solid cornerstone for prediction and hardening of TID effects of -based semiconductor devices, but also offers a general approach for studying ionizing radiation physics in alternative dielectrics with intrinsic electronic metastability and dispersion. The calculated defect parameters aligning with EPR and carrier injection experiments can support broad -related reliability and function research.