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dc.creatorSatpathy, S
dc.creatorPopović, Zoran S.
dc.creatorVukajlović, Filip R.
dc.date.accessioned2018-03-01T18:10:58Z
dc.date.available2018-03-01T18:10:58Z
dc.date.issued1996
dc.identifier.issn0031-9007
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/1960
dc.description.abstractThe electronic structures of the perovskite oxides, LaMnO3 and CaMnO3, are studied using density-functional methods. Antiferromagnetic insulating (AFI) solutions are obtained for both compounds within the local-density approximation (LDA). For LaMnO3 the Jahn-Teller distortion, found necessary for the AFI solution, produces occupied Mn(z(2) - 1) orbitals pointed along the long, basal-plane Mn-O bonds. The large on-site Coulomb U and exchange J, obtained from constrained LDA calculations, U approximate to 8-10 eV and J approximate to 0.9 eV, indicate important correlation effects and yield large redistribution of the spectral weight within the LDA + U approach.en
dc.rightsopenAccessen
dc.sourcePhysical Review Lettersen
dc.titleElectronic structure of the perovskite oxides: La1-xCaxMnO3en
dc.typearticleen
dcterms.abstractСатпатхy, С; Поповиц, ЗС; Вукајловиц, ФР;
dc.citation.volume76
dc.citation.issue6
dc.citation.spage960
dc.citation.epage963
dc.identifier.wosA1996TT49100027
dc.identifier.doi10.1103/PhysRevLett.76.960
dc.identifier.scopus2-s2.0-3643137575
dc.identifier.fulltexthttp://vinar.vin.bg.ac.rs//bitstream/id/12220/1956.pdf


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