dc.contributor.author Schuster, Cosima B. dc.contributor.author Lüders, Ulrike dc.contributor.author Frésard, Raymond dc.contributor.author Schwingenschlögl, Udo dc.date.accessioned 2015-08-03T11:14:28Z dc.date.available 2015-08-03T11:14:28Z dc.date.issued 2013-08-13 dc.identifier.issn 02955075 dc.identifier.doi 10.1209/0295-5075/103/37003 dc.identifier.uri http://hdl.handle.net/10754/562895 dc.description.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. dc.description.sponsorship 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. dc.publisher IOP Publishing dc.title Lattice relaxation and ferromagnetic character of $(LaVO_{3})_{m}/SrVO_{3}$ superlattices dc.type Article dc.contributor.department Computational Physics and Materials Science (CPMS) dc.contributor.department Material Science and Engineering Program dc.contributor.department Physical Science and Engineering (PSE) Division dc.identifier.journal EPL (Europhysics Letters) dc.contributor.institution Universität Augsburg, Institut für Physik, 86135 Augsburg, Germany dc.contributor.institution Laboratoire CRISMAT, UMR CNRS, ENSICAEN 6508, 14050 Caen, France dc.identifier.arxivid arXiv:1211.2999 kaust.person Schwingenschlögl, Udo dc.date.published-online 2013-08-13 dc.date.published-print 2013-08-01
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