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.
@article{arxiv.1202.0110,
title = {Spin state of negative charge-transfer material SrCoO3},
author = {J. Kuneš and V. Křápek and N. Parragh and G. Sangiovanni and A. Toschi and A. V. Kozhevnikov},
journal= {arXiv preprint arXiv:1202.0110},
year = {2012}
}