Magnetic coupling in CoCr_2O_4 and MnCr_2O_4: an LSDA+U study

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dc.creatorEderer, Claude
dc.creatorKomelj, Matej
dc.date2006-11-19
dc.date2007-08-08
dc.date.accessioned2026-07-07T08:22:49Z
dc.date.available2026-07-07T08:22:49Z
dc.descriptionWe present a first principles LSDA+U study of the magnetic coupling constants in the spinel magnets CoCr_2O_4 and MnCr_2O_4. Our calculated coupling constants highlight the possible importance of AA interactions in spinel systems with magnetic ions on both A and B sites. Furthermore, we show that a careful analysis of the dependence of the magnetic coupling constants on the LSDA+U parameters provides valuable insights in the underlying coupling mechanisms, and allows to obtain a quantitative estimate of the magnetic coupling constants. We discuss in detail the capabilities and possible pitfalls of the LSDA+U method in determining magnetic coupling constants in complex transition metal oxides.
dc.description10 pages, 3 figures; final version; revised discussion of J dependence
dc.identifierhttps://arxiv.org/abs/cond-mat/0611502
dc.identifierhttp://arxiv.org/abs/cond-mat/0611502
dc.identifierPhysical Review B 76, 064409 (2007)
dc.identifierdoi:10.1103/PhysRevB.76.064409
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/135783
dc.subjectMaterials Science
dc.subjectStrongly Correlated Electrons
dc.titleMagnetic coupling in CoCr_2O_4 and MnCr_2O_4: an LSDA+U study
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