Previous infrared spectroscopy studies of the defect spectrum of neutron irradiated Czochralski grown silicon (Cz-Si) revealed a band at 533 cm−1, which disappears from the spectra at ~170 °C and exhibits a similar thermal stability with the Si-P6 Electron paramagnetic resonance (EPR) spectrum correlated with the di-interstitial defect. The proposed structural model for this defect consists of two self-interstitial atoms located symmetrically around a lattice site Si atom. The calculations reveal that the previously suggested structure of the Si-P6 defect has a vibrational frequency at about 513 cm−1, which is close to the experimental value of 533 cm−1. The modeling results indicate that the 533 cm−1 infrared band originates from the same structure as that of the Si-P6 EPR spectrum.
|Journal||Journal of Materials Science: Materials in Electronics|
|Publication status||Published - Dec 2014|
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- Interstitial defects
Londos, C. A., Angeletos, T., & Chroneos, A. (2014). Semi-empirical modelling of the di-interstitial defect in silicon. Journal of Materials Science: Materials in Electronics, 25(12), 5441-5445. https://doi.org/10.1007/s10854-014-2326-z