Show simple item record

dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorSchuster, Cosima B.
dc.contributor.authorFrésard, Raymond
dc.date.accessioned2015-08-02T09:10:36Z
dc.date.available2015-08-02T09:10:36Z
dc.date.issued2009-03-02
dc.identifier.citationSchwingenschlögl, U., Schuster, C., & Frésard, R. (2009). Stripe segregation and magnetic coupling in the nickelate La5/3Sr1/3NiO4. Annalen Der Physik, 18(2-3), 107–113. doi:10.1002/andp.200910338
dc.identifier.issn00033804
dc.identifier.doi10.1002/andp.200910338
dc.identifier.doi10.1002/andp.200952102-305
dc.identifier.urihttp://hdl.handle.net/10754/561414
dc.description.abstractWe investigate the consequences of the stripe formation in the nickelate La5/3Sr1/3NiO4 for the details of its crystal structure and electronic states. Our data are based on numerical simulations within density functional theory (DFT) and the generalized gradient approximation (GGA). The on-site Coulomb interaction is included in terms of the LDA+U scheme. Structure optimization of preliminary experimental data indicates a strong interaction between the structural and electronic degrees of freedom. In particular, we find a segregation of the diagonal filled stripes induced by a delicate interplay with the magnetic coupling. Beyond the cooperative effect of stripe segregation and spin order, distinct octahedral distortions are essential for the formation of an insulating state. © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
dc.description.sponsorshipWe acknowledge fruitful discussions with T. Kopp M. Raczkowski and Y. Sidis. Financial support was provided by the Deutsche Forschungsgemeinschaft (SFB 484) and the Bayerisch-Franzosische Hochschulzentrum.
dc.publisherWiley
dc.relation.urlhttp://arxiv.org/abs/arXiv:0902.4556v1
dc.relation.urlhttp://arxiv.org/pdf/0902.4556
dc.rightsArchived with thanks to Wiley
dc.rightsThis file is an open access version redistributed from: http://arxiv.org/pdf/0902.4556
dc.subjectDiagonal filled stripes
dc.subjectElectronic structure
dc.subjectStructure relaxation
dc.titleStripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4
dc.typeArticle
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.contributor.departmentMaterial Science and Engineering Program
dc.contributor.departmentOffice of the VP
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalAnnalen der Physik
dc.rights.embargodate2010-03-02
dc.eprint.versionPost-print
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, United Kingdom
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS-ENSICAEN (ISMRA) 6508, IRMA, FR3095, 14050 Caen, France
dc.identifier.arxivid0902.4556
kaust.personSchwingenschlögl, Udo
dc.versionv1
refterms.dateFOA2020-01-23T12:09:22Z
dc.date.published-online2009-03-02
dc.date.published-print2009-03-26
dc.date.posted2009-02-26


Files in this item

Thumbnail
Name:
Articlefile1.pdf
Size:
109.6Kb
Format:
PDF
Description:
Post-print

This item appears in the following Collection(s)

Show simple item record