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Interstitial carbon-hydrogen defects in silicon
Department of Physics, University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
Department of Physics, University of Newcastle.
Department of Physics, University of Exeter.
1997 (English)In: Defects in semiconductors: : proceedings of the 19th International Conference on Defects in Semiconductors, Aveiro, Portugal, July 1997 / [ed] Gordon Davies, Trans Tech Publications Inc., 1997, p. 265-270Conference paper, Published paper (Refereed)
Abstract [en]

Interstitial carbon, in contrast with substitutional carbon, forms defects with hydrogen which are both electrically active and stable to high temperatures. Ab initio cluster calculations show that the most primitive defect, CiH, diffuses very rapidly and is expected to complex with many other impurities notably C, H and O. We describe here the structure and properties of Ci,nHm defects where n and m are less than 3. The most stable defects of the type CiCsHm have very different structures when m = 0 and when m > 0. In the former case, the C-C bond is metastable and only C-Si-C bonds are formed. However in the second case, the presence of a H atom stabilises the C-C bond. These results are supported by experiment. We show that the vibrational modes of the Cs-CiH defect are close to those observed for the T-photoluminescent centre and this defect is passivated when complexed with a further H atom. This defect then provides the first example of a fully characterised carbon centre containing a C-C bond.

Place, publisher, year, edition, pages
Trans Tech Publications Inc., 1997. p. 265-270
Series
Materials Science Forum, ISSN 0255-5476 ; 258-263
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-31605DOI: 10.4028/www.scientific.net/MSF.258-263.265Scopus ID: 3743111550Local ID: 5d7ca770-f124-11dd-ae0d-000ea68e967bOAI: oai:DiVA.org:ltu-31605DiVA, id: diva2:1004839
Conference
International Conference on Defects in Semiconductors : 21/07/1997 - 25/07/1997
Note
Godkänd; 1997; 20090202 (andbra)Available from: 2016-09-30 Created: 2016-09-30 Last updated: 2017-11-25Bibliographically approved

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