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dc.contributor.authorLekka, C. E.en
dc.contributor.authorPatsalas, P.en
dc.contributor.authorKomninou, P.en
dc.contributor.authorEvangelakis, G. A.en
dc.date.accessioned2015-11-24T17:33:50Z-
dc.date.available2015-11-24T17:33:50Z-
dc.identifier.issn0021-8979-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/13900-
dc.rightsDefault Licence-
dc.subjectmolecular-beam epitaxyen
dc.subjectab-initioen
dc.subjectnitrideen
dc.subjectgrowthen
dc.subjectpseudopotentialsen
dc.subject1st-principlesen
dc.subjectsystemsen
dc.subjectganen
dc.titleElectronic properties and bonding characteristics of AlN:Ag thin film nanocompositesen
heal.typejournalArticle-
heal.type.enJournal articleen
heal.type.elΆρθρο Περιοδικούel
heal.identifier.primaryDoi 10.1063/1.3554443-
heal.identifier.secondary<Go to ISI>://000288387900100-
heal.languageen-
heal.accesscampus-
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικώνel
heal.publicationDate2011-
heal.abstractWe present theoretical and experimental results on the bonding and structural characteristics of AlN:Ag thin film nanocomposites obtained by means of density functional theory (DFT) computations, high resolution transmission electron microscopy (HRTEM) observations, Auger electron spectroscopy (AES), and x-ray diffraction (XRD) measurements. From the theoretical calculations it was determined that the presence of the Ag substitutional of N or Al atoms affects the electronic density of states (EDOS) of the resulting systems. In particular, occupied energy states are introduced (between others) that lie within the energy gap of the AlN matrix due to Ag-d, Al-p (accompanied with a charge transfer from Al to Ag), Ag-p, and N-p hybridizations, respectively. The effect is predicted to be even more pronounced in the case of Ag nanoparticle inclusions affecting the EDOS of the composite system. These predictions were verified by the HRTEM images that gave unequivocal evidence for the presence and stability of Ag nanoparticles in the AlN matrix. In addition, the AES data suggested a metal-metal (Ag-Al) bonding preference, while the XRD patterns revealed that the atomic Ag dispersions in the AlN thin films results in a small elongation of the Wurtzite lattice, which is in agreement with the DFT predictions. These results may useful in tailoring the electronic response of AlN-based systems and the design of devices for various opto-electronic applications. (C) 2011 American Institute of Physics. [doi:10.1063/1.3554443]en
heal.publisherAmerican Institute of Physicsen
heal.journalNameJournal of Applied Physicsen
heal.journalTypepeer reviewed-
heal.fullTextAvailabilityTRUE-
Appears in Collections:Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά)

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