Ab Initio Studies of Local Vibrations of Small Self-Interstitials Aggregates in Silicon

Abstract:

We report on the energetics, electrical and optical activity of small self-interstitial (I3 and I4) clusters in Si, found from ab-initio density-functional modeling studies. I4 possesses nine local vibrational modes above the Raman edge, which account for up to three dipole-allowed vibronic transitions observed in recent experiments associated with the X-photoluminescent line. Another prominent photoluminescent line (known as the W-line) that shows a trigonal stress-induced splitting pattern, has been previously assigned to I3. Our analysis of the LVMs of a metastable form of I3 support this assignment.

• Periodical: Solid State Phenomena (Volumes 108-109)
• Pages: 175-180
• DOI: https://doi.org/10.4028/www.scientific.net/SSP.108-109.175
• Online since: December 2005
• Authors: A. Carvalho, R. Jones, J. Coutinho, Vitor Torres, Patrick R. Briddon
• Keywords: Defect, Ion Implantation, Self-Interstitial, Silicon

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