Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1809150 | Physica B: Condensed Matter | 2015 | 4 Pages |
Abstract
The electronic, structural, and magnetic properties of the perovskite Co-doped BiFeO3 have been investigated using density functional theory within the generalized gradient approximation plus Hubbard U correction (GGA+U). We discuss the changes that occur in the structural parameters, electronic structure, and magnetic properties of the Co-doped BiFeO3 under the consideration of the impact of the 3d electrons. The results show that a substitutional Co for Fe in BiFeO3 produces a magnetic moment of −1.0 μB and a half-metallic property emerges. The ferromagnetic (FM) coupling is more stable and still presents a half-metallic property when two Co atoms substitute for Fe atoms in BiFeO3.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Qing-Yan Rong, Ling-Ling Wang, Wen-Zhi Xiao, Liang Xu,