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dc.creatorBorjan, Zoran
dc.creatorPopović, Zoran S.
dc.creatorŠljivančanin, Željko
dc.creatorVukajlović, Filip R.
dc.date.accessioned2018-03-01T20:28:43Z
dc.date.available2018-03-01T20:28:43Z
dc.date.issued2008
dc.identifier.issn1098-0121 (print)
dc.identifier.urihttp://vinar.vin.bg.ac.rs/handle/123456789/3483
dc.description.abstractBy means of first-principles calculations using spin-polarized generalized gradient approximation method and ultrasoft pseudopotentials, the electronic and magnetic structure of the recently synthesized orthorhombic phase of bilayer manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) compound is obtained. Our calculations have shown that the specific antiferromagnetic ordering, in accordance with experimental findings, is the most stable one. The total energies calculated for the several possible magnetic states of the title compound in the orthorhombic phase enable us to estimate spin exchange interactions for nearest J(nn)=-1.60 meV and next(-) nearest neighbors J(nnn)=-0.21 meV. Calculated Curie-Weiss temperature in the mean-field approximation is in excellent agreement with the measured magnetic phase transition temperature.en
dc.rightsrestrictedAccessen
dc.sourcePhysical Review B: Condensed Matter and Materials Physicsen
dc.titleElectronic properties of bilayered manganite Ca(2.5)Sr(0.5)GaMn(2)O(8) from first-principles calculationsen
dc.typearticleen
dcterms.abstractБорјан, Зоран; Поповиц, Зоран С.; Вукајловиц, Филип Р.; Шљиванчанин Жељко;
dc.citation.volume77
dc.citation.issue21
dc.identifier.wos000257288900006
dc.identifier.doi10.1103/PhysRevB.77.212402
dc.citation.otherArticle Number: 212402
dc.citation.rankM21
dc.identifier.scopus2-s2.0-44949256156


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