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dc.contributor.authorEDERER, CLAUDE
dc.date.accessioned2009-07-07T15:30:49Z
dc.date.available2009-07-07T15:30:49Z
dc.date.issued2003
dc.date.submitted2003en
dc.identifier.citationMoran, S., Ederer, C., Fahnle, M. 'Ab initio electron theory for magnetism in Fe: Pressure dependence of spin-wave energies, exchange parameters, and Curie temperature' in Physical Review B - Condensed Matter and Materials Physics, 67, (1), 2003, pp 124071 - 124074en
dc.identifier.issnhttp://dx.doi.org/10.1103/PhysRevB.67.012407
dc.identifier.otherY
dc.identifier.otherYen
dc.identifier.urihttp://hdl.handle.net/2262/31416
dc.descriptionPUBLISHEDen
dc.description.abstractThe spin-wave spectra for bcc Fe at various lattice constants are calculated by the ab initio density functional electron theory for various lattice constants, and the exchange parameters of a Heisenberg model are determined from the data. The spin-wave energies increase with decreasing lattice constant, and the behavior of the exchange parameters can by no means be described by the Bethe-Slater curve for an effective nearest-neighbor Heisenberg model. From the spin-wave frequencies the pressure dependence of the Curie temperature is derived in mean-field and random-phase approximation, yielding ?TcMF/?p?1.6 K/kbar and ?TcRPA/?p ?1.8 K/kbar, in contrast to the experimental result ?Tc/?p?0. Possible reasons for this discrepancy are discussed.en
dc.description.sponsorshipThe authors are indebted to O. Grotheer and J. Ku?bler for helpful discussions.en
dc.format.extent124071en
dc.format.extent124074en
dc.format.extent55784 bytes
dc.format.mimetypeapplication/pdf
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.ispartofseriesPhysical Review B - Condensed Matter and Materials Physicsen
dc.relation.ispartofseries67en
dc.relation.ispartofseries1en
dc.rightsYen
dc.subjectPhysicsen
dc.titleAb initio electron theory for magnetism in Fe: Pressure dependence of spin-wave energies, exchange parameters, and Curie temperatureen
dc.typeJournal Articleen
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/edererc


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