Anomalous shift of the 1075 cm-1 oxygen-hydrogen defect in silicon
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, 277-282 p.Conference paper (Refereed)
First principles calculations are carried out on i) hydrogen and ii) water molecules trapped near an interstitial oxygen atom in Si. We find that it is possible for these molecules to cause an upward shift in the antisymmetric stretch mode of Oi when H is replaced by D, which could explain the anomalous shift in the 1075 cm-1 O-H related local vibrational mode. Both these molecules lead to modes in the 3500-4000 cm-1 region but those of the H2 lie close to those recently detected using Fourier transform infra-red spectroscopy.
Place, publisher, year, edition, pages
Trans Tech Publications Inc., 1997. 277-282 p.
Materials Science Forum, ISSN 0255-5476 ; 258-263
Research subject Scientific Computing
IdentifiersURN: urn:nbn:se:ltu:diva-39942DOI: 10.4028/www.scientific.net/MSF.258-263.277Local ID: ee136930-f765-11dd-a85e-000ea68e967bOAI: oai:DiVA.org:ltu-39942DiVA: diva2:1013462
International Conference on Defects in Semiconductors : 21/07/1997 - 25/07/1997
Godkänd; 1997; 20090210 (andbra)2016-10-032016-10-03Bibliographically approved