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Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/13298
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dc.contributor.authorIllas i Riera, Francesccat
dc.contributor.authorCasanovas Salas, Jordicat
dc.contributor.authorGarcía Bach, Ma. de los Ángelescat
dc.contributor.authorCaballol Lorenzo, Rosacat
dc.contributor.authorCastell, O.cat
dc.date.accessioned2010-07-05T10:30:00Z-
dc.date.available2010-07-05T10:30:00Z-
dc.date.issued1993-
dc.identifier.issn0031-9007-
dc.identifier.urihttp://hdl.handle.net/2445/13298-
dc.description.abstractThe physical contributions to the KNiF3 magnetic exchange coupling integral have been obtained from specially designed ab initio cluster model calculations. Three important mechanisms have been identified. These are the delocalization of the magnetic orbitals into the anion p band, the variational contribution of the second-order interactions, and the many-body terms hidden in the two-body operator and the Heisenberg Hamiltonian.-
dc.format.extent4 p.-
dc.format.mimetypeapplication/pdf-
dc.language.isoengeng
dc.publisherAmerican Physical Societycat
dc.relation.isformatofReproducció digital del document proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevLett.71.3549cat
dc.relation.ispartofPhysical Review Letters, 1993, vol. 71, num. 21, p. 3549-3552cat
dc.relation.urihttp://dx.doi.org/10.1103/PhysRevLett.71.3549-
dc.rights(c) American Physical Society, 1993cat
dc.sourceArticles publicats en revistes (Física de la Matèria Condensada)-
dc.subject.classificationMaterialscat
dc.subject.classificationPropietats magnètiquescat
dc.subject.classificationEstructura electrònicacat
dc.subject.otherMagnetic properties and materialseng
dc.subject.otherElectronic structureeng
dc.titleTowards and ab initio description of magnetism in ionic solidseng
dc.typeinfo:eu-repo/semantics/articleeng
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.identifier.idgrec59332-
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess-
Appears in Collections:Articles publicats en revistes (Física de la Matèria Condensada)
Articles publicats en revistes (Ciència dels Materials i Química Física)

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