Stripe segregation and magnetic coupling in the nickelate La 5/3Sr1/3NiO4
Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Office of the VP
Physical Science and Engineering (PSE) Division
Date
2009-03-02Preprint Posting Date
2009-02-26Online Publication Date
2009-03-02Print Publication Date
2009-03-26Embargo End Date
2010-03-02Permanent link to this record
http://hdl.handle.net/10754/561414
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Show full item recordAbstract
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.Citation
Schwingenschlögl, 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.200910338Sponsors
We 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.Publisher
WileyJournal
Annalen der PhysikarXiv
0902.4556Additional Links
http://arxiv.org/abs/arXiv:0902.4556v1http://arxiv.org/pdf/0902.4556
ae974a485f413a2113503eed53cd6c53
10.1002/andp.200910338