Local vibrational modes of N2-O n defects in Cz-Silicon
2007 (Engelska)Ingår i: Journal of materials science. Materials in electronics, ISSN 0957-4522, E-ISSN 1573-482X, Vol. 18, nr 7, s. 683-687Artikel i tidskrift (Refereegranskat) Published
Abstract [en]
In this paper we investigate N2-O n defect complexes in Czochralski silicon (Cz-Si) by means of local density functional theory. We consider the N2O and the N2O2 defect and determine their structural, electronic and vibrational properties. The calculated local vibrational modes of the N2O defect are in good agreement with the experiment. Furthermore the calculated binding energy matches very well with the experimental estimate. Motivated by recent experimental work, where several new absorption lines in IR absorbance spectra were observed, we present first principle studies on the ground state configuration, binding energy and local vibrational modes of the N2O2 defect and make a tentative assignment to the experimentally observed lines at 1018 and 810 cm-1.
Ort, förlag, år, upplaga, sidor
2007. Vol. 18, nr 7, s. 683-687
Nationell ämneskategori
Beräkningsmatematik
Forskningsämne
Teknisk-vetenskapliga beräkningar
Identifikatorer
URN: urn:nbn:se:ltu:diva-15009DOI: 10.1007/s10854-006-9097-0ISI: 000246175200002Scopus ID: 2-s2.0-34247871277Lokalt ID: e7793990-6cee-11dc-89fb-000ea68e967bOAI: oai:DiVA.org:ltu-15009DiVA, id: diva2:987982
Anmärkning
Validerad; 2007; 20070927 (bajo)
2016-09-292016-09-292018-07-10Bibliografiskt granskad