2012/02/29 by J. Kuneš, V. Křápek, N. Parragh +3 · 1 citation
Physics and Astronomy · #cond-mat.str-el #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevlett.109.117206
published as Phys. Rev. Lett. 109, 117206 (2012) · 5 pages, 5 figures
arxiv created 2012/09/24 · arxiv updated 2012/09/25
We employ the combination of the density functional and the dynamical mean-field theory (LDA+DMFT) to investigate the electronic structure and magnetic properties of SrCoO3, monocrystal of which were prepared recently. Our calculations lead to a ferromagnetic metal in agreement with experiment. We find that, contrary to some suggestions, the local moment in SrCoO3 does not arise from intermediate spin state, but is a result of coherent superposition of many different atomic states. We discuss how attribution of magnetic response to different atomic states in solids with local moments can be quantified.