Theoretical study of the CiOi and IsiCiOi defects in Si

D. J. Backlund, S. K. Estreicher

Research output: Contribution to journalArticlepeer-review

13 Scopus citations


The ISiCiOi (C4) defect consists of a Si self-interstitial trapped at the interstitial carbon-oxygen CiOi pair (C3). The C4 defect is characterized by two infrared absorption lines at 940 and 1024 cm-1. The former is C-related and the latter is O-related. The intensity of these lines begins to drop above 150 °C and they disappear around 200 °C. In this work, we present the results of first-principles calculations of the configurations, binding energies, vibrational spectra, and estimated gap levels of C3 and C4.

Original languageEnglish
Pages (from-to)163-166
Number of pages4
JournalPhysica B: Condensed Matter
StatePublished - Dec 15 2007


  • C4 defect
  • Carbon
  • Oxygen
  • Self-interstitial
  • Silicon
  • Theory


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