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Early SiO2 precipitates in Si: Vacancy-oxygen versus interstitial-oxygen clusters

Lookup NU author(s): Professor Patrick Briddon


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Oxygen precipitation in Si strongly depends on the undergoing thermal treatment. Between 350 and 450 °C thermal donor formation is activated by a 1.4-1.6 eV barrier. On the other hand, at T>500°C, SiO2 cluster formation is limited by the interstitial oxygen (Oi) migration barrier of ∼2.5eV. Volumetric arguments imply that the formation of silica precipitates during anneals of oxygen-rich Si crystals, must be accompanied by the ejection of approximately one Si self-interstitial (Sii) per SiO 2 unit that is formed. We report on ab-initio density-functional studies of small oxygen aggregates in Si, to show that the On→VOn+Sii reaction is exothermic for n≥4. The large energy barrier required to form an intermediate Sii defect prevents the formation of VOn complexes at temperatures as low as 450 °C. Our results imply that thermal donors are not thermodynamically stable clusters, and their formation is driven by kinetics. Infra-red absorption studies can discriminate VOn and On defects. We report their local vibrational modes and compare them with the available experimental data. © 2005 Elsevier B.V. All rights reserved.

Publication metadata

Author(s): Torres VJB, Coutinho J, Jones R, Barroso M, Oberg S, Briddon PR

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: Physica B: Condensed Matter. 23rd International Conference on Defects in Semiconductors

Year of Conference: 2006

Pages: 109-112

ISSN: 0921-4526

Publisher: Elsevier BV


DOI: 10.1016/j.physb.2005.12.029

Library holdings: Search Newcastle University Library for this item

ISBN: 18732135