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First-principle study on the identification of nitrogen-oxygen defect complexes in silicon
University of Exeter.
University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
University of Newcastle Upon Tyne.
2006 (English)In: High purity silicon 9: [proceedings of the Ninth High Purity Silicon Symposium held in Cancun, Mexico at the 210th meeting of the Electrochemical Society, Oct. 29 - Nov. 3, 2006], Electrochemical Society, Incorporated , 2006, p. 127-133Conference paper, Published paper (Refereed)
Abstract [en]

Local density functional theory is used to investigate theinteraction of nitrogen with oxygen in Cz-Si. The binding energyof O with N2 and the positions of four local vibrational modesof the N2O center are in good agreement with experiment. TheN2O2 defect is the most common nitrogen-oxygen defect after N2Oand we suggest that the experimentally observed lines at 1018and 810 cm-1 are due to this defect. The concentrations of thesedefects are greater than those of oxygen dimers at temperatures around 650{degree sign}C. Furthermore thesedefects could be nuclei for oxygen precipitates in nitrogendoped Cz-Si.Neither NO nor NO2 play any significant role.

Place, publisher, year, edition, pages
Electrochemical Society, Incorporated , 2006. p. 127-133
Series
ECS transsactions ; 3:4
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-31972DOI: 10.1149/1.2355751Scopus ID: 2-s2.0-33846949040Local ID: 64d60710-2bc6-11dd-8657-000ea68e967bISBN: 1-566-77504-3 (print)OAI: oai:DiVA.org:ltu-31972DiVA, id: diva2:1005206
Conference
ECS Meeting : 29/10/2006 - 03/11/2006
Note
Godkänd; 2006; 20080527 (cira)Available from: 2016-09-30 Created: 2016-09-30 Last updated: 2018-07-10Bibliographically approved

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Öberg, Sven

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