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arXiv · 0711.1599

Magnetic ordering in the striped nickelate La5/3Sr1/3NiO4: A band structure point of view

U. Schwingenschlogl·C. Schuster·R. Fresard
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Abstract

We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure compatible with experiment is obtained from spin-polarized calculations within the generalized gradient approximation (GGA), whereas inclusion of a local Coulomb interaction in the LDA+U framework results in a different ground state. The influence of the various interaction parameters is discussed in detail.

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U. Schwingenschlogl, C. Schuster, R. Fresard. 2007-11-10. Magnetic ordering in the striped nickelate La5/3Sr1/3NiO4: A band structure point of view. https://doi.org/10.1209/0295-5075%2F81%2F27002

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