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hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCAMPET, Guy
hal.structure.identifierDepartment of Chemistry
dc.contributor.authorSUBRAMANIAN, M. A.
dc.date.issued2011
dc.identifier.issn0079-6786
dc.description.abstractEnAn original analysis of the electronic and chemical properties of oxides is proposed based on the electronegativity χ and the chemical hardness η. This model which has been applied to various oxide based metals, degenerate semiconductors and optical properties of transition metal oxides allows explaining their electronic behaviors: Strong electronegativity and weak chemical hardness characterize oxides of transition elements with high oxidation state. Strong electronegativity and strong chemical hardness feature insulators with a large optical gap. Weak electronegativity and moderate chemical hardness describe alkali and alkaline earth oxides and weak electronegativity and strong chemical hardness are for ionic oxides with a relatively large optical gap. For a few illustrative case studies, ab intio electronic band structure calculations within the density functional theory framework are used.
dc.language.isoen
dc.publisherElsevier
dc.subject.enOxides
dc.subject.enElectronegativity (χ)
dc.subject.enChemical hardness (η)
dc.subject.enElectronic properties
dc.subject.enDFT
dc.subject.enElectronic density of states
dc.subject.enBand structure
dc.title.enElectronic properties of oxides : Chemical and theoretical approaches
dc.typeArticle de revue
dc.identifier.doi10.1016/j.progsolidstchem.2011.04.002
dc.subject.halChimie/Matériaux
bordeaux.journalProgress in Solid State Chemistry
bordeaux.page70-95
bordeaux.volume39
bordeaux.issue2
bordeaux.peerReviewedoui
hal.identifierhal-00606793
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00606793v1
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