Long-range magnetic order and spin-lattice coupling in the delafossite CuFeO2

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dc.creatorEyert, Volker
dc.creatorFresard, Raymond
dc.creatorMaignan, Antoine
dc.date2008-01-30
dc.date.accessioned2026-07-07T09:57:47Z
dc.date.available2026-07-07T09:57:47Z
dc.descriptionThe electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new full-potential augmented spherical wave method. The calculations reveal three different spin states at the iron sites. Taking into account the correct crystal structure, we find long-range antiferromagnetic ordering in agreement with experiment. Contrasting previous work, our calculations show that non-local exchange interactions lead to a semiconducting ground state.
dc.description5 pages, 5 figures, more information at http:www.physik.uni-augsburg.de/~eyert/
dc.identifierhttps://arxiv.org/abs/0801.4787
dc.identifierhttp://arxiv.org/abs/0801.4787
dc.identifierPhys. Rev. B 78, 052402 (2008)
dc.identifierdoi:10.1103/PhysRevB.78.052402
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/167474
dc.subjectStrongly Correlated Electrons
dc.titleLong-range magnetic order and spin-lattice coupling in the delafossite CuFeO2
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