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

Abstract:

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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.

Info:

Periodical:

Solid State Phenomena (Volumes 108-109)

Edited by:

B. Pichaud, A. Claverie, D. Alquier, H. Richter and M. Kittler

Pages:

175-180

DOI:

10.4028/www.scientific.net/SSP.108-109.175

Citation:

A. Carvalho et al., "Ab Initio Studies of Local Vibrations of Small Self-Interstitials Aggregates in Silicon", Solid State Phenomena, Vols. 108-109, pp. 175-180, 2005

Online since:

December 2005

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Price:

$35.00

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