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dc.contributor.authorFonseca, Leonardo R. C.pt_BR
dc.contributor.authorXavier Jr., A. L.pt_BR
dc.contributor.authorRibeiro Jr., Marcelopt_BR
dc.contributor.authorDriemeier, Carlos Eduardopt_BR
dc.contributor.authorBaumvol, Israel Jacob Rabinpt_BR
dc.date.accessioned2014-06-06T02:06:25Zpt_BR
dc.date.issued2007pt_BR
dc.identifier.issn0021-8979pt_BR
dc.identifier.urihttp://hdl.handle.net/10183/96102pt_BR
dc.description.abstractIsotopic substitution, nuclear reaction analysis, and x-ray photoelectron spectroscopy were employed to show that oxygen-deficient hafnium (Hf) silicates trap hydrogen atoms. Based on this experimental observation, we used first-principles calculations to investigate the structure, energetics, and electronic properties of H interacting with O vacancies in a hafnium silicate model. We found that O vacancies close to a Si atom are energetically favored when compared to vacancies in HfO2-like regions, implying that close-to-Si O vacancies are more likely to occur. Trapping of two H atoms at a close-to-Si O vacancy passivates the vacancy-induced gap states. The first H interacts with neighboring Hf atoms, whereas the second H binds to the Si atom.en
dc.format.mimetypeapplication/pdf
dc.language.isoengpt_BR
dc.relation.ispartofJournal of applied physics. Melville. Vol. 102, no. 4 (Aug. 2007), 044108, 6p.pt_BR
dc.rightsOpen Accessen
dc.subjectSilicatospt_BR
dc.subjectHáfniopt_BR
dc.subjectMosfetpt_BR
dc.subjectAtrapamentopt_BR
dc.subjectHidrogêniopt_BR
dc.subjectOxigêniopt_BR
dc.titleHydrogen trapping in oxigen-deficient hafnium silicatespt_BR
dc.typeArtigo de periódicopt_BR
dc.identifier.nrb000605402pt_BR
dc.type.originEstrangeiropt_BR


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