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    Lattice relaxation and ferromagnetic character of $(LaVO_{3})_{m}/SrVO_{3}$ superlattices

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    Type
    Article
    Authors
    Schuster, Cosima B.
    Lüders, Ulrike
    Frésard, Raymond
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2013-08-13
    Online Publication Date
    2013-08-13
    Print Publication Date
    2013-08-01
    Permanent link to this record
    http://hdl.handle.net/10754/562895
    
    Metadata
    Show full item record
    Abstract
    The experimental observation that vanadate superlattices (LaVO 3)m/SrVO3 show ferromagnetism up to room temperature (Lüders U. et al., Phys. Rev. B, 80 (2009) 241102(R)) is investigated by means of density functional theory, and the band structure for m = 5 and 6 is calculated. A buckling of the interface VO2 layers is found in both cases, but subtle differences in bond length lead to very different properties for even and odd values of m: in the even case, the two interface VO2 layers effectively decouple from the adjacent LaO layers due to a strong bond length enhancement. This results into a local inversion of the orbital occupancy and to the confinement of the charge carriers. In the odd case, the amplitude of the bond length variation is smaller, so that the charge carriers spill into the deeper-lying VO2 layers, and spin-polarised interfaces are obtained. © Copyright EPLA, 2013.
    Citation
    Schuster, C., Lüders, U., Frésard, R., & Schwingenschlögl, U. (2013). Lattice relaxation and ferromagnetic character of (LaVO 3 ) m /SrVO 3 superlattices. EPL (Europhysics Letters), 103(3), 37003. doi:10.1209/0295-5075/103/37003
    Sponsors
    We thank S. NAZIR and T. KOPP for valuable discussions. Financial support by the German Research Foundation within TRR 80 (CS) and by the ANR through GeCoDo-ANR-2011-JS0800101 (UL and RF) is acknowledged. UL and RF thank the Region Basse-Normandie and the Ministere de la Recherche for financial support.
    Publisher
    IOP Publishing
    Journal
    EPL (Europhysics Letters)
    DOI
    10.1209/0295-5075/103/37003
    arXiv
    1211.2999
    ae974a485f413a2113503eed53cd6c53
    10.1209/0295-5075/103/37003
    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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