U. Schwingenschlögl et al 2008 EPL 81 27002 doi:10.1209/0295-5075/81/27002
U. Schwingenschlögl1, C. Schuster1 and R. Frésard2
Show affiliationsWe 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.
71.45.Lr Charge-density-wave systems
71.20.-b Electron density of states and band structure of crystalline solids
Issue 2 (January 2008)
Received 20 August 2007, accepted for publication 7 November 2007
Published 4 December 2007
U. Schwingenschlögl et al 2008 EPL 81 27002
J. T. A. de Jong et al. 2008 ApJ 680 1112
S. Boixo et al 2007 EPL 79 40003
A. Burrows et al. 2006 ApJ 650 1140
M. Giavalisco et al 2004 ApJ 600 L103
Todd C. Hillwig et al. 2000 The Astronomical Journal 120 1113
A. Stoffel and M. Gulácsi 2009 EPL 85 20009
M. M. Kasliwal et al. 2008 ApJ 678 1127
A. Rest et al. 2008 ApJ 680 1137
Ray Keller et al 2008 Phys. Biol. 5 015007