Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

Handle URI:
http://hdl.handle.net/10754/561610
Title:
Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach
Authors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Schuster, Cosima B.; Frésard, Raymond
Abstract:
Motivated 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
European Physical Society
Journal:
EPL
Issue Date:
1-Dec-2009
DOI:
10.1209/0295-5075/88/67008
Type:
Article
ISSN:
02955075
Sponsors:
We acknowledge fruitful discussions with T. Kopp, F. PATTHEY, M. RACZKOWSKI, and Y. SIDIS. Financial support has been provided by the Deutsche Forschungsgemeinschaft (SFB 484).
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSchwingenschlögl, Udoen
dc.contributor.authorSchuster, Cosima B.en
dc.contributor.authorFrésard, Raymonden
dc.date.accessioned2015-08-02T09:15:18Zen
dc.date.available2015-08-02T09:15:18Zen
dc.date.issued2009-12-01en
dc.identifier.issn02955075en
dc.identifier.doi10.1209/0295-5075/88/67008en
dc.identifier.urihttp://hdl.handle.net/10754/561610en
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.en
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).en
dc.publisherEuropean Physical Societyen
dc.titleElectronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approachen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMaterials Science and Engineering Programen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalEPLen
dc.contributor.institutionUniversität Augsburg, Institut für Physik, 86135 Augsburg, EU, Germanyen
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508, IRMA, FR3095-14050 Caen, Franceen
kaust.authorSchwingenschlögl, Udoen
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