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Ab-initio studies of local vibrations of small self-interstitial aggregates in silicon

Lookup NU author(s): Dr Alexandra Carvalho, Richard Jones, Dr Jose Coutinho, Professor Patrick Briddon


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We report on the energetics, electrical and optical activity of small self-interstitial (I-3 and I-4) clusters in Si, found from ab-initio density-functional modeling studies. I-4 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 I-3. Our analysis of the LVMs of a metastable form of I-3 Support this assignment.

Publication metadata

Author(s): Carvalho A, Jones R, Coutinho J, Torres VJB, Briddon PR

Editor(s): Pichaud, B., Claverie, A.

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Gettering and Defect Engineering in Semiconductor Technology XI: Proceedings of the 11th International Autumn Meeting

Year of Conference: 2005

Pages: 175-180

ISSN: 1012-0394

Publisher: Trans Tech Publications Ltd.

Library holdings: Search Newcastle University Library for this item

Series Title: Solid State Phenomena

ISBN: 9783908451136