Effect of ionic substitutions on the magnetic properties of strontium hexaferrite: A first principles study
Source abstract
Abstract
We investigated the effect of substitution of various ions at the Fe sites on magnetic properties of strontium hexaferrite (SrFe12O19) using first principles method based on density functional theory. The site occupancies of substituted atoms were estimated by calculating the substitution energies of different configurations. The formation probabilities of configurations were used to calculate magnetic properties of substituted strontium hexaferrite. A total of 21 elements (M) were screened for their possible substitution in strontium hexaferrite, SrFe12−xMxO19 with x = 0.5. In each case the site preference of the substituted atom and the magnetic properties were calculated. We found that Bi, Sb, Sn, and Sc can effectively increase the magnetization and P, Co, Al, Ga, and Ti can enhance the anisotropy field when substituted into strontium hexaferrite.
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Research context
OpenAlex topics: Magnetic Properties and Synthesis of Ferrites · Multiferroics and related materials · Iron oxide chemistry and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics and Astronomy, Mississippi State University 1 , Mississippi State, MS 39762, USA and , Mississippi State, MS 39762, USA
Center for Computational Sciences, Mississippi State University 1 , Mississippi State, MS 39762, USA and , Mississippi State, MS 39762, USA
Korea Institute of Materials Science 2 , Changwon, Gyeongnam 51508, Republic of Korea
Department of Electrical and Computer Engineering and MINT Center, The University of Alabama 3 , Tuscaloosa, AL 35487, USA
Funding
Center for Computational Sciences, Mississippi State University · National Research Foundation of Korea
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