1. Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study.
- Author
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Dixit, Vivek, Nandadasa, Chandani N., Seong-Gon Kim, Sungho Kim, Jihoon Park, and Yang-Ki Hong
- Subjects
STRONTIUM spectra ,FERRITES ,ALKALINE earth metals ,SPECTRUM analysis ,MAGNETIC properties of metals ,DENSITY functional theory - Abstract
The first-principles density functional theory has been used to study Ga/In-substituted strontium hexaferrite (SrFe
12 O19 ). Based on the calculation of the substitution energy of Ga and In in SrFe12 O19 and the formation probability analysis, we conclude that in SrFe12-x Gax O19 the substituted Ga atoms prefer to occupy the 12k, 2a, and 4f1 sites, while In atoms in SrFe12-x Inx O19 occupy the 12k, 4f2 , and 4f1 sites. We used the site occupation probabilities to calculate the magnetic properties of the substituted SrFe12 O19 . It was found that as the fraction of Ga atoms in SrFe12-x Gax O19 increases, the saturation magnetization (Ms ) as well as magnetic anisotropy energy (MAE) decrease, while the anisotropy field (Ha ) increases. In the case of SrFe12-x Inx O91 , Ms , MAE, and Ha decrease with an increase of the concentration of In atoms. [ABSTRACT FROM AUTHOR]- Published
- 2015
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