Research paperComputational DFTComputed PhononTheoreticalDefect Phonon Renormalization during Nonradiative Multiphonon Transitions in SemiconductorsJunjie Zhou, Shanshan Wang, Menglin Huang, Xin-Gao Gong et al.arXiv·2025·10.1021/jacs.3c09808·arXiv:2501.04289AbstractCarrier capture at defects is a nonradiative multiphonon transition in semiconductors. Using carbon substitutional defect (CN) in GaN as a benchmark, the paper shows that phonon renormalization during defect relaxation can strongly affect calculated transition rates and invalidate the equal-mode approximation. The authors incorporate Duschinsky mode mixing and off-diagonal electron-phonon coupling contributions, obtaining capture coefficients that agree with experiment within an order of magnitude.Read more
Neutral carbon substitutional defect CN in GaN used as the benchmark defect system for phonon renormalization analysis.3 propertiesSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
-1 charged carbon substitutional defect CN in GaN used for comparing initial-state and final-state phonons and capture coefficients.No measurements recordedSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalDefect Phonon Renormalization during Nonradiative Multiphonon Transitions in SemiconductorsJunjie Zhou, Shanshan Wang, Menglin Huang, Xin-Gao Gong et al.arXiv·2025·10.1021/jacs.3c09808·arXiv:2501.04289AbstractCarrier capture at defects is a nonradiative multiphonon transition in semiconductors. Using carbon substitutional defect (CN) in GaN as a benchmark, the paper shows that phonon renormalization during defect relaxation can strongly affect calculated transition rates and invalidate the equal-mode approximation. The authors incorporate Duschinsky mode mixing and off-diagonal electron-phonon coupling contributions, obtaining capture coefficients that agree with experiment within an order of magnitude.Read more
Neutral carbon substitutional defect CN in GaN used as the benchmark defect system for phonon renormalization analysis.3 propertiesSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
-1 charged carbon substitutional defect CN in GaN used for comparing initial-state and final-state phonons and capture coefficients.No measurements recordedSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalDefect Phonon Renormalization during Nonradiative Multiphonon Transitions in SemiconductorsJunjie Zhou, Shanshan Wang, Menglin Huang, Xin-Gao Gong et al.arXiv·2025·10.1021/jacs.3c09808·arXiv:2501.04289AbstractCarrier capture at defects is a nonradiative multiphonon transition in semiconductors. Using carbon substitutional defect (CN) in GaN as a benchmark, the paper shows that phonon renormalization during defect relaxation can strongly affect calculated transition rates and invalidate the equal-mode approximation. The authors incorporate Duschinsky mode mixing and off-diagonal electron-phonon coupling contributions, obtaining capture coefficients that agree with experiment within an order of magnitude.Read more
Neutral carbon substitutional defect CN in GaN used as the benchmark defect system for phonon renormalization analysis.3 propertiesSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
-1 charged carbon substitutional defect CN in GaN used for comparing initial-state and final-state phonons and capture coefficients.No measurements recordedSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
Research paperComputational DFTComputed PhononTheoreticalDefect Phonon Renormalization during Nonradiative Multiphonon Transitions in SemiconductorsJunjie Zhou, Shanshan Wang, Menglin Huang, Xin-Gao Gong et al.arXiv·2025·10.1021/jacs.3c09808·arXiv:2501.04289AbstractCarrier capture at defects is a nonradiative multiphonon transition in semiconductors. Using carbon substitutional defect (CN) in GaN as a benchmark, the paper shows that phonon renormalization during defect relaxation can strongly affect calculated transition rates and invalidate the equal-mode approximation. The authors incorporate Duschinsky mode mixing and off-diagonal electron-phonon coupling contributions, obtaining capture coefficients that agree with experiment within an order of magnitude.Read more
Neutral carbon substitutional defect CN in GaN used as the benchmark defect system for phonon renormalization analysis.3 propertiesSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand
-1 charged carbon substitutional defect CN in GaN used for comparing initial-state and final-state phonons and capture coefficients.No measurements recordedSimulated Supercell DftGaNStudied MaterialCN in GaNStudied MaterialExpand