Stripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Office of the VP
Physical Science and Engineering (PSE) Division
Preprint Posting Date2009-02-26
Online Publication Date2009-03-02
Print Publication Date2009-03-26
Embargo End Date2010-03-02
Permanent link to this recordhttp://hdl.handle.net/10754/561414
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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.
CitationSchwingenschlögl, 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
SponsorsWe 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.
JournalAnnalen der Physik