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

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    Type
    Article
    Authors
    Schwingenschlögl, Udo cc
    Schuster, Cosima B.
    Frésard, Raymond
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Office of the VP
    Physical Science and Engineering (PSE) Division
    Date
    2009-03-02
    Preprint Posting Date
    2009-02-26
    Online Publication Date
    2009-03-02
    Print Publication Date
    2009-03-26
    Embargo End Date
    2010-03-02
    Permanent link to this record
    http://hdl.handle.net/10754/561414
    
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    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.
    Citation
    Schwingenschlögl, 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
    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.
    Publisher
    Wiley
    Journal
    Annalen der Physik
    DOI
    10.1002/andp.200910338
    arXiv
    0902.4556
    Additional Links
    http://arxiv.org/abs/arXiv:0902.4556v1
    http://arxiv.org/pdf/0902.4556
    ae974a485f413a2113503eed53cd6c53
    10.1002/andp.200910338
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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