title: Spin state of negative charge-transfer material SrCoO(3).
abstract: We employ the combination of the density functional theory and the dynamical mean-field theory to investigate the electronic structure and magnetic properties of SrCoO(3), monocrystals 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 SrCoO(3) does not arise from intermediate spin state, but is a result of coherent superposition of many different atomic states. We discuss how the attribution of magnetic response to different atomic states in solids with local moments can be quantified.
authors.affiliation: Institute of Physics, Academy of Sciences of the Czech Republic, Cukrovarnická 10, Praha 6, 162 53, Czech Republic.
authors.forename: J
authors.initials: J
authors.lastname: Kuneš
authors.forename: V
authors.initials: V
authors.lastname: Křápek
authors.forename: N
authors.initials: N
authors.lastname: Parragh
authors.forename: G
authors.initials: G
authors.lastname: Sangiovanni
authors.forename: A
authors.initials: A
authors.lastname: Toschi
authors.forename: A V
authors.initials: AV
authors.lastname: Kozhevnikov