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) Local structure around V_o. b₁ and b₂ are the bond lengths (Å). (b) Partial charge density of the defect levels shown in Fig. 9(b-2). The isosurface value is 0.015 e⁻/Bohr³.