Volume 81, Number 2, January 2008
Article Number 27002
Number of page(s) 5
Section Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties
Published online 04 December 2007
EPL, 81 (2008) 27002
DOI: 10.1209/0295-5075/81/27002

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

U. Schwingenschlögl1, C. Schuster1 and R. Frésard2

1  TP II, Institut für Physik, Universität Augsburg - D-86135 Augsburg, Germany
2  Laboratoire CRISMAT, UMR CNRS-ENSICAEN(ISMRA) 6508 - 6 Bld. du Maréchal Juin, F-14050 Caen, France

received 20 August 2007; accepted in final form 7 November 2007; published January 2008
published online 4 December 2007

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 the 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.

71.20.-b - Electron density of states and band structure of crystalline solids.
71.45.Lr - Charge-density-wave systems.
75.25.+z - Spin arrangements in magnetically ordered materials (including neutron and spin-polarized electron studies, synchrotron-source X-ray scattering, etc.).

© EPLA 2008