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dc.contributor.authorIvanov, V. A.en_US
dc.date.accessioned2016-02-08T10:52:38Z
dc.date.available2016-02-08T10:52:38Z
dc.date.issued1994en_US
dc.identifier.issn0953-8984
dc.identifier.urihttp://hdl.handle.net/11693/25935
dc.description.abstractThe analysis of electronic structures has been carried out for the transition-metal compounds showing the corundum-type crystal symmetry using the suggested tight-binding method for interacting bands. With the self-consistent field approximation, the branches of the electronic spectra and energy gaps have been analytically calculated. The role of the electron correlations was found to be decisive for the dielectrization of spectra for which no additional assumptions, e.g. the existence of spin- or charge-density waves, was necessary. The data obtained provide an explanation for the appearance of the insulator state in such compounds as Ti2O3, V2O 3, Cr2O3, alpha -Mn2O3 and alpha -Fe2O3. The calculated values of band gaps agree reasonably with the experimental data available. The Peierls problem is solved for the corundum-structure d compounds.en_US
dc.language.isoEnglishen_US
dc.source.titleJournal of Physics: Condensed Matteren_US
dc.relation.isversionofhttp://dx.doi.org/10.1088/0953-8984/6/10/024en_US
dc.subjectCorundum structureen_US
dc.subjectCrystal symmetryen_US
dc.subjectElectronic structureen_US
dc.subjectInteracting bandsen_US
dc.subjectTight binding approachen_US
dc.subjectBand structureen_US
dc.subjectCalculationsen_US
dc.subjectCrystal atomic structureen_US
dc.subjectElectronic propertiesen_US
dc.subjectEnergy gapen_US
dc.subjectMathematical modelsen_US
dc.subjectOxidesen_US
dc.subjectSolid state physicsen_US
dc.subjectTransition metal compoundsen_US
dc.titleThe tight-binding approach to the corundum-structure d compoundsen_US
dc.typeArticleen_US
dc.departmentDepartment of Physics
dc.citation.spage2065en_US
dc.citation.epage2076en_US
dc.citation.volumeNumber6en_US
dc.citation.issueNumber10en_US
dc.identifier.doi10.1088/0953-8984/6/10/024en_US
dc.publisherInstitute of Physics Publishing Ltd.en_US


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