Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study
- Department of Physics and Astronomy, Mississippi State University, Mississippi State, Mississippi 39762, USA and Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762 (United States)
- Center for Computational Sciences, Mississippi State University, Mississippi State, Mississippi 39762 (United States)
- Department of Electrical and Computer Engineering and MINT Center, The University of Alabama, Tuscaloosa, Alabama 35487 (United States)
The first-principles density functional theory has been used to study Ga/In-substituted strontium hexaferrite (SrFe{sub 12}O{sub 19}). Based on the calculation of the substitution energy of Ga and In in SrFe{sub 12}O{sub 19} and the formation probability analysis, we conclude that in SrFe{sub 12−x}Ga{sub x}O{sub 19} the substituted Ga atoms prefer to occupy the 12k, 2a, and 4f{sub 1} sites, while In atoms in SrFe{sub 12−x}In{sub x}O{sub 19} occupy the 12k, 4f{sub 2}, and 4f{sub 1} sites. We used the site occupation probabilities to calculate the magnetic properties of the substituted SrFe{sub 12}O{sub 19}. It was found that as the fraction of Ga atoms in SrFe{sub 12−x}Ga{sub x}O{sub 19} increases, the saturation magnetization (M{sub s}) as well as magnetic anisotropy energy (MAE) decrease, while the anisotropy field (H{sub a}) increases. In the case of SrFe{sub 12−x}In{sub x}O{sub 19}, M{sub s}, MAE, and H{sub a} decrease with an increase of the concentration of In atoms.
- OSTI ID:
- 22492966
- Journal Information:
- Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 20 Vol. 118; ISSN JAPIAU; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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