Nonradiative hot carrier capture cross section of defects in GaN from first principles

Recent progress in first-principles calculations of multiphonon processes in solids [1,2] allows direct calculation of nonradiative hot-carrier capture cross sections of defects in semiconductors. We apply the computational method in [1] to electron and hole capture cross sections of defects in GaN. As formulated, the method contains zeroth-order matrix elements for the phonon-assisted electron (or hole) transition, whose contribution is expected to be larger than the contributions of the usual, first-order, electron-phonon coupling matrix elements [2]. The calculated cross sections are compared to the first-order results in [2] and to experiments. [1] Barmparis, Georgios D., et al. Physical Review B 92.21 (2015): 214111. [2] Alkauskas, A., et. al, Physical Review B, 90(7), 075202.