Electronic and magnetic properties of double perovskite slab-rocksalt layer rare earth strontium aluminates natural superlattice structure

By using the LSDA and LSDA U method, the electronic and magnetic properties of Ln₂SrAl₂O₇ (Ln La, Nd, Sm, Eu, Gd, and Dy) compounds have been investigated in this paper. While comparing the density of states calculated by two methods, the main difference between LSDA and LSDA U calculations is only obvious for 4f states. The Ln₂SrAl ₂O₇ compounds are more like the charge transfer type insulators. The ferromagnetic and possible anti-ferromagnetic states of these compounds are calculated and discussed by Rudeman-Kittel-Kasuya-Yosida (RKKY) model.