Electronic properties of oxides : Chemical and theoretical approaches
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | CAMPET, Guy | |
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | SUBRAMANIAN, M. A. | |
| dc.date.issued | 2011 | |
| dc.identifier.issn | 0079-6786 | |
| dc.description.abstractEn | An 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.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Oxides | |
| dc.subject.en | Electronegativity (χ) | |
| dc.subject.en | Chemical hardness (η) | |
| dc.subject.en | Electronic properties | |
| dc.subject.en | DFT | |
| dc.subject.en | Electronic density of states | |
| dc.subject.en | Band structure | |
| dc.title.en | Electronic properties of oxides : Chemical and theoretical approaches | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.progsolidstchem.2011.04.002 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Progress in Solid State Chemistry | |
| bordeaux.page | 70-95 | |
| bordeaux.volume | 39 | |
| bordeaux.issue | 2 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00606793 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00606793v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Progress%20in%20Solid%20State%20Chemistry&rft.date=2011&rft.volume=39&rft.issue=2&rft.spage=70-95&rft.epage=70-95&rft.eissn=0079-6786&rft.issn=0079-6786&rft.au=MATAR,%20Samir%20F.&CAMPET,%20Guy&SUBRAMANIAN,%20M.%20A.&rft.genre=article |
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