Show simple item record

dc.contributor.authorEDERER, CLAUDE
dc.date.accessioned2009-07-07T09:39:57Z
dc.date.available2009-07-07T09:39:57Z
dc.date.issued2009
dc.date.submitted2009en
dc.identifier.citationRoman Kovacik, Claude Ederer 'Correlation effects in p-electron magnets: the case of RbO_2' 2009en
dc.identifier.otherY
dc.identifier.otherYen
dc.identifier.urihttp://hdl.handle.net/2262/31367
dc.descriptionPUBLISHEDen
dc.description.abstractWe present results of GGA+U calculations for the "d^0 magnet" RbO_2, where magnetic properties are due to partially filled oxygen p orbitals. We show that on-site interactions on the oxygen sites lead to a strong tendency towards the formation of an orbitally polarized insulating state, in contrast to the half-metallic behavior predicted for this class of compounds within pure LDA/GGA. The obtained energy differences between different orbitally ordered configurations are sizeable, indicating an orbital ordering temperature higher than the antiferromagnetic Neel temperature of ~15 K. Our results demonstrate the importance of correlation effects in p electron magnets such as RbO_2.en
dc.description.sponsorshipThis work was supported by Science Foundation Ire- land under Ref. SFI-07/YI2/I1051 and made use of com- putational facilities provided by the Trinity Center for High Performance Computing.en
dc.format.extent712505 bytes
dc.format.mimetypeapplication/pdf
dc.language.isoenen
dc.rightsYen
dc.subjectPhysicsen
dc.titleCorrelation effects in p-electron magnets: the case of RbO_2en
dc.typeJournal Articleen
dc.contributor.sponsorScience Foundation Ireland
dc.type.supercollectionscholarly_publicationsen
dc.type.supercollectionrefereed_publicationsen
dc.identifier.peoplefinderurlhttp://people.tcd.ie/edererc


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record