Exchange interactions and magnetic anisotropy in the `Ni-4' magnetic molecule

DC FieldValueLanguage
dc.contributor.authorPostnikov, AV
dc.contributor.authorBruger, M
dc.contributor.authorSchnack, J
dc.date.accessioned2021-12-23T16:13:52Z-
dc.date.available2021-12-23T16:13:52Z-
dc.date.issued2005
dc.identifier.issn01411594
dc.identifier.urihttps://osnascholar.ub.uni-osnabrueck.de/handle/unios/10788-
dc.descriptionInternational Symposium on Structure and Dynamics of Heterogeneous Systems, Univ Duisburg-Essen, Duisburg, GERMANY, NOV 20-21, 2003
dc.description.abstractThe magnetic properties of the tetrahedral `Ni-4' molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown that the isotropic Heisenberg model does not provide an adequate description of magnetization at low temperatures, and the inclusion of single-site anisotropy terms does not help to improve the situation. We assume that the magnetostriction of the molecule and, hence, the dependence of the interatomic coupling parameters on the magnetization may be important for an adequate description of the magnetic properties. The first-principle calculations confirm the system's general preference for antiferromagnetic coupling, as well as the failure of the isotropic Heisenberg model. A conjugated-gradient search for the relaxed structure of the `Ni-4' molecule in ferromagnetic and antiferromagnetic configurations did not show any clear tendency to diversification of the interatomic distances. These calculations, however, have not yet included the spin-orbit coupling, which can be essential for analysing the effects of magnetostriction.
dc.language.isoen
dc.publisherTAYLOR & FRANCIS LTD
dc.relation.ispartofPHASE TRANSITIONS
dc.subjectBINUCLEAR COMPLEXES
dc.subjectCrystallography
dc.subjectdensity functional theory
dc.subjectexchange interactions
dc.subjectHeisenberg model
dc.subjectmolecular magnets
dc.subjectPhysics
dc.subjectPhysics, Condensed Matter
dc.titleExchange interactions and magnetic anisotropy in the `Ni-4' magnetic molecule
dc.typeconference paper
dc.identifier.doi10.1080/01411590412331316744
dc.identifier.isiISI:000226668200007
dc.description.volume78
dc.description.issue1-3
dc.description.startpage47
dc.description.endpage59
dc.contributor.orcid0000-0003-0702-2723
dc.contributor.researcheridA-4079-2008
dc.identifier.eissn10290338
dc.publisher.place2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
dcterms.isPartOf.abbreviationPhase Transit.
dcterms.oaStatusGreen Submitted
crisitem.author.deptFB 04 - Physik-
crisitem.author.deptidfb04-
crisitem.author.orcid0000-0003-0702-2723-
crisitem.author.parentorgUniversität Osnabrück-
crisitem.author.netidScJu137-
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