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Please use this identifier to cite or link to this item: https://olympias.lib.uoi.gr/jspui/handle/123456789/14530
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dc.contributor.authorDou, Y. K.en
dc.contributor.authorJin, H. B.en
dc.contributor.authorCao, M. S.en
dc.contributor.authorFang, X. Y.en
dc.contributor.authorHou, Z. L.en
dc.contributor.authorLi, D.en
dc.contributor.authorAgathopoulos, S.en
dc.date.accessioned2015-11-24T17:38:41Z-
dc.date.available2015-11-24T17:38:41Z-
dc.identifier.issn0925-8388-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/14530-
dc.rightsDefault Licence-
dc.subjectni-doped 3c-sicen
dc.subjectfirst principleen
dc.subjectelectronic propertyen
dc.subjectoptical propertyen
dc.subjectmicrowave dielectric-propertiesen
dc.subjectcubic silicon-carbideen
dc.subjectcombustion synthesisen
dc.subjectmagnetic-propertiesen
dc.subjectsic powderen
dc.subjectimpuritiesen
dc.subjectmnen
dc.subject1st-principlesen
dc.subjectpermittivityen
dc.subjectnanowiresen
dc.titleStructural stability, electronic and optical properties of Ni-doped 3C-SiC by first principles calculationen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDOI 10.1016/j.jallcom.2011.03.058-
heal.identifier.secondary<Go to ISI>://000289462600034-
heal.identifier.secondaryhttp://ac.els-cdn.com/S0925838811006281/1-s2.0-S0925838811006281-main.pdf?_tid=da7b68eebb23606f587063ea9dc4ad2d&acdnat=1339492772_f3c3843877644b706815febe556b8b02-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικώνel
heal.publicationDate2011-
heal.abstractStructural stability along with the electronic and the optical properties of intrinsic 3C-SiC and Ni-doped 3C-SiC were studied by the first principles calculation. For the Ni-doped 3C-SiC, substitution of Ni in Si sub-lattice is energetically more favorable than that in C sub-lattice. Some new impurity energy levels appear in the band gap of Ni-doped 3C-SiC, which can improve the conductivity of 3C-SiC. The imaginary part of the dielectric function of Ni-doped 3C-SiC has three remarkable peaks at 0.69 eV, 2.35 eV, and 4.16 eV. This reveals that doping with Ni can improve the photo-absorption efficiency of 3C-SiC. In the absorption spectrum of Ni-doped 3C-SiC, the absorption edge red-shifts towards the far-infrared region. Furthermore, three new absorbing peaks emerge in the near-infrared region, visible region, and middle-ultraviolet region. These features confer Ni-doped 3C-SiC qualifications of a promising optical material. (C) 2011 Elsevier B.V. All rights reserved.en
heal.publisherElsevieren
heal.journalNameJournal of Alloys and Compoundsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
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