Stripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4

Handle URI:
http://hdl.handle.net/10754/561414
Title:
Stripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4
Authors:
Schwingenschlögl, Udo ( 0000-0003-4179-7231 ) ; Schuster, Cosima B.; Frésard, Raymond
Abstract:
We 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Materials Science and Engineering Program; Computational Physics and Materials Science (CPMS)
Publisher:
Wiley-VCH Verlag
Journal:
Annalen der Physik (Leipzig)
Issue Date:
2-Mar-2009
DOI:
10.1002/andp.200910338
ARXIV:
arXiv:0902.4556
Type:
Article
ISSN:
00033804
Sponsors:
We 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.
Additional Links:
http://arxiv.org/abs/arXiv:0902.4556v1
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.accessioned2015-08-02T09:10:36Zen
dc.date.available2015-08-02T09:10:36Zen
dc.date.issued2009-03-02en
dc.identifier.issn00033804en
dc.identifier.doi10.1002/andp.200910338en
dc.identifier.urihttp://hdl.handle.net/10754/561414en
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.en
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.en
dc.publisherWiley-VCH Verlagen
dc.relation.urlhttp://arxiv.org/abs/arXiv:0902.4556v1en
dc.subjectDiagonal filled stripesen
dc.subjectElectronic structureen
dc.subjectStructure relaxationen
dc.titleStripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4en
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.journalAnnalen der Physik (Leipzig)en
dc.contributor.institutionInstitut für Physik, Universität Augsburg, 86135 Augsburg, United Kingdomen
dc.contributor.institutionLaboratoire CRISMAT, UMR CNRS-ENSICAEN (ISMRA) 6508, IRMA, FR3095, 14050 Caen, Franceen
dc.identifier.arxividarXiv:0902.4556en
kaust.authorSchwingenschlögl, Udoen
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