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dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSchuster, Cosima B.
dc.contributor.authorFrésard, Raymond
dc.date.accessioned2015-08-02T09:15:18Z
dc.date.available2015-08-02T09:15:18Z
dc.date.issued2009-12-01
dc.identifier.issn02955075
dc.identifier.doi10.1209/0295-5075/88/67008
dc.identifier.urihttp://hdl.handle.net/10754/561610
dc.description.abstractMotivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.
dc.description.sponsorshipWe acknowledge fruitful discussions with T. Kopp, F. PATTHEY, M. RACZKOWSKI, and Y. SIDIS. Financial support has been provided by the Deutsche Forschungsgemeinschaft (SFB 484).
dc.publisherIOP Publishing
dc.titleElectronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentMaterials Science and Engineering Program
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.identifier.journalEPL (Europhysics Letters)
dc.contributor.institutionUniversität Augsburg, Institut für Physik, 86135 Augsburg, EU, Germany
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, IRMA, FR3095-14050 Caen, France
kaust.personSchwingenschlögl, Udo


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