Charge states and hyperfine interaction parameters in perovskite SrFeO3 |
| |
| Authors: | É. I. Yuryeva V. L. Kozhevnikov A. L. Ivanovskii |
| |
| Affiliation: | (1) Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Ekaterinburg |
| |
| Abstract: | The parameters of the electronic structure and hyperfine interactions in perovskite SrFeO3 were determined for different types of spin and charge states by ab initio discrete variations within the cluster model. The best agreement with experiment was achieved when the charge disproportionation effect {[Fe4+O6]8? + [Fe4+O6]8?} → {[Fe3+O6]9? + [Fe5+O6]7?} was taken into account. |
| |
| Keywords: | strontium ferrite SrFeO3 electronic structure hyperfine interactions |
| 本文献已被 SpringerLink 等数据库收录！ |
