Formation of localized hole states in complex oxides .1. Hole states in BaTiO3

DC FieldValueLanguage
dc.contributor.authorDonnerberg, H
dc.contributor.authorTobben, S
dc.contributor.authorBirkholz, A
dc.date.accessioned2021-12-23T16:05:09Z-
dc.date.available2021-12-23T16:05:09Z-
dc.date.issued1997
dc.identifier.issn09538984
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/6809-
dc.description.abstractDefect electrons (holes) play an important role in most technologically important complex oxides. In this contribution we present the first detailed characterization of localized hole states in such materials. Our investigations employ advanced embedded-cluster calculations which consistently include electron correlations and defect-induced lattice relaxations. This is necessary in order to account for the variety of possible hole-state manifestations. Even in highly ionic oxides such as MgO, there exists a delicate interplay between electron correlations and defect-induced lattice deformations.
dc.language.isoen
dc.publisherIOP PUBLISHING LTD
dc.relation.ispartofJOURNAL OF PHYSICS-CONDENSED MATTER
dc.subjectBIPOLARONS
dc.subjectCLUSTER CALCULATIONS
dc.subjectELECTRONIC-STRUCTURE
dc.subjectENERGY
dc.subjectINDUCED CHARGE TRANSPORT
dc.subjectIONIC-CRYSTALS
dc.subjectMGO
dc.subjectMODEL
dc.subjectPARAMAGNETIC DEFECTS
dc.subjectPhysics
dc.subjectPhysics, Condensed Matter
dc.subjectSIMULATION
dc.titleFormation of localized hole states in complex oxides .1. Hole states in BaTiO3
dc.typejournal article
dc.identifier.doi10.1088/0953-8984/9/30/005
dc.identifier.isiISI:A1997XP23600005
dc.description.volume9
dc.description.issue30
dc.description.startpage6359
dc.description.endpage6370
dc.publisher.placeDIRAC HOUSE, TEMPLE BACK, BRISTOL, ENGLAND BS1 6BE
dcterms.isPartOf.abbreviationJ. Phys.-Condes. Matter
dcterms.oaStatusGreen Submitted
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