Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/9080
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dc.contributor.authorHorzum, Şeyda-
dc.contributor.authorİyikanat, Fadıl-
dc.contributor.authorSenger, Ramazan Tuğrul-
dc.contributor.authorÇelebi, Cem-
dc.contributor.authorSbeta, Mohamed-
dc.contributor.authorYıldız, Abdullah-
dc.contributor.authorSerin, Tülay-
dc.date.accessioned2020-07-25T22:03:29Z-
dc.date.available2020-07-25T22:03:29Z-
dc.date.issued2019-
dc.identifier.issn0022-2860-
dc.identifier.issn1872-8014-
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.11.064-
dc.identifier.urihttps://hdl.handle.net/11147/9080-
dc.description.abstractWe experimentally and theoretically study how the structural and vibrational properties of zinc oxide (ZnO) are modified upon Gallium (Ga) doping. The characteristics of Ga-doped ZnO thin films which are synthesized by sol-gel spin coating method on glass substrates are monitored by using X-ray diffraction (XRD) and Raman scattering measurements. For atomic-level understanding of the experimental findings state-of-the-art density functional theory (DFT) based calculations are also performed. DFT calculations reveal that both the substitution and adsorption of Ga atoms in ZnO are energetically possible and substitutional doping in ZnO is the most favourable scenario. XRD measurements show that all the films are in wurtzite structure and the crystallite size of the films decreases with increasing Ga doping. In addition, Raman analysis show that strong vibrational modes at about 100 and 441 cm(-1) are associated with E-2(low) and E-2(high) phonon branches of ZnO, respectively. While the frequency of the E-2(low) mode downshifts with increasing Ga concentration, the E-2(high) phonon mode is not affected by the Ga doping. Furthermore, E-Ga phonon branch, stemming from the substituted Ga atoms, emerges at low frequencies. It is also seen that the Raman intensity of the E-G(a) peak linearly increases with increasing Ga concentration. Experimental results on the vibrational properties are in good agreement with the ab initio phonon calculations. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectThin filmsen_US
dc.subjectGa-doped ZnOen_US
dc.subjectRaman spectroscopyen_US
dc.subjectXRDen_US
dc.subjectab initioen_US
dc.titleMonitoring the characteristic properties of Ga-doped ZnO by Raman spectroscopy and atomic scale calculationsen_US
dc.typeArticleen_US
dc.institutionauthorHorzum, Şeyda-
dc.institutionauthorİyikanat, Fadıl-
dc.institutionauthorSenger, Ramazan Tuğrul-
dc.institutionauthorÇelebi, Cem-
dc.departmentİzmir Institute of Technology. Physicsen_US
dc.identifier.volume1180en_US
dc.identifier.startpage505en_US
dc.identifier.endpage511en_US
dc.identifier.wosWOS:000457660300056en_US
dc.identifier.scopus2-s2.0-85058228457en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1016/j.molstruc.2018.11.064-
dc.relation.doi10.1016/j.molstruc.2018.11.064en_US
dc.coverage.doi10.1016/j.molstruc.2018.11.064en_US
dc.identifier.wosqualityQ3-
dc.identifier.scopusqualityQ2-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
item.fulltextWith Fulltext-
item.languageiso639-1en-
item.grantfulltextopen-
item.openairetypeArticle-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept04.05. Department of Pyhsics-
crisitem.author.dept04.05. Department of Pyhsics-
Appears in Collections:Physics / Fizik
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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