Stripe segregation and magnetic coupling in the nickelate La_5/3 Sr_1/3 NiO_4

Details Stripe segregation and magnetic coupling in the nickelate La_5/3 Sr_1/3 NiO_4 Stripe segregation and magnetic coupling in the nickelate La_5/3 Sr_1/3 NiO_4

2009-02-26

arxiv.org/abs/0902.4556v1

Physics

Condensed Matter

Strongly Correlated Electrons

7 pages, 6 figures, accepted by Annalen der Physik (Berlin)

Scientific paper

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.

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