Host isotope effects on midinfrared optical transitions in silicon

Gordon Davies, S. Hayama, Shiqiang Hao, B. Bech Nielsen, J. Coutinho, M. Sanati, S. K. Estreicher, K. M. Itoh

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16 Citations (Scopus)

Abstract

The effects of changing the host-lattice isotopes from natural silicon (approximately 28Si) to 30Si are reported for some of the important local vibrational modes (LVMs) observed in as-grown and electron-irradiated Czochralski silicon. We show that the quanta of the LVMs shift to lower energy in 30Si compared to natural silicon by amounts varying from 3.5 to 27 cm -1, in very good agreement with predictions from density functional theory. The 2767 cm -1 ("3.6 μm") transition of the negative divacancy is also found to shift to lower energy with increasing silicon mass, but we demonstrate, using an empirical method of predicting the shifts of zero-phonon lines, that the line is a zero-phonon line. The empirical method used is verified by analyzing the shifts of the very-low energy 3942 cm -1 vibronic band.

Original languageEnglish
Article number115212
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number11
DOIs
Publication statusPublished - 2005 Mar 15

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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    Davies, G., Hayama, S., Hao, S., Bech Nielsen, B., Coutinho, J., Sanati, M., Estreicher, S. K., & Itoh, K. M. (2005). Host isotope effects on midinfrared optical transitions in silicon. Physical Review B - Condensed Matter and Materials Physics, 71(11), [115212]. https://doi.org/10.1103/PhysRevB.71.115212