| dc.contributor.author | EDERER, CLAUDE | |
| dc.date.accessioned | 2009-07-07T09:39:57Z | |
| dc.date.available | 2009-07-07T09:39:57Z | |
| dc.date.issued | 2009 | |
| dc.date.submitted | 2009 | en |
| dc.identifier.citation | Roman Kovacik, Claude Ederer 'Correlation effects in p-electron magnets: the case of RbO_2' 2009 | en |
| dc.identifier.other | Y | |
| dc.identifier.other | Y | en |
| dc.description | PUBLISHED | en |
| dc.description.abstract | We 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.sponsorship | This 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.extent | 712505 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.language.iso | en | en |
| dc.rights | Y | en |
| dc.subject | Physics | en |
| dc.title | Correlation effects in p-electron magnets: the case of RbO_2 | en |
| dc.type | Journal Article | en |
| dc.type.supercollection | scholarly_publications | en |
| dc.type.supercollection | refereed_publications | en |
| dc.identifier.peoplefinderurl | http://people.tcd.ie/edererc | |
| dc.contributor.sponsor | Science Foundation Ireland | |
| dc.identifier.uri | http://hdl.handle.net/2262/31367 | |
