First-principles study of strain effect on the formation and electronic structures of oxygen vacancy in SrFeO<sub>2</sub>

First-principles study of strain effect on the formation and electronic structures of oxygen vacancy in SrFeO₂

Zhang Wei^{1, †,}, Huang Jie²

(a) The four-atom primitive cell of tetragonal SrFeO₂. (b) The supercell of SrFeO₂ with G-AFM. The arrows denote the up-spin and down-spin. (c) Local coordinate of Fe–O bonds.