Volume 81, Number 2, January 2008
|Number of page(s)||5|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||04 December 2007|
Magnetic ordering in the striped nickelate La5/3Sr1/3NiO4: A band structure point of view
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
Accepted: 7 November 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.
PACS: 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
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