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

Udo Schwingenschlögl, Cosima B. Schuster, Raymond Frésard

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

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.
Original languageEnglish (US)
Pages (from-to)107-113
Number of pages7
JournalAnnalen der Physik
Volume18
Issue number2-3
DOIs
StatePublished - Mar 2 2009

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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