Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study

Dixit, Vivek; Nandadasa, Chandani N.; Kim, Seong-Gon; Kim, Sungho; Park, Jihoon; Hong, Yang-Ki

doi:10.1063/1.4936368

Title: Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study

Journal Article · Mon Nov 30 00:00:00 EST 2015 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4936368· OSTI ID:1420614

; Nandadasa, Chandani N.; Kim, Seong-Gon; Kim, Sungho; Park, Jihoon; Hong, Yang-Ki

The first-principles density functional theory has been used to study Ga/In-substituted strontium hexaferrite (SrFe12O19). Based on the calculation of the substitution energy of Ga and In in SrFe12O19 and the formation probability analysis, we conclude that in SrFe12−xGaxO19 the substituted Ga atoms prefer to occupy the 12k, 2a, and 4f1 sites, while In atoms in SrFe12−xInxO19 occupy the 12k, 4f2, and 4f1 sites. We used the site occupation probabilities to calculate the magnetic properties of the substituted SrFe12O19. It was found that as the fraction of Ga atoms in SrFe12−xGaxO19 increases, the saturation magnetization (Ms) as well as magnetic anisotropy energy (MAE) decrease, while the anisotropy field (Ha) increases. In the case of SrFe12−xInxO19, Ms, MAE, and Ha decrease with an increase of the concentration of In atoms.

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Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

Grant/Contract Number:: AR0000189

OSTI ID:: 1420614

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Vol. 118 Journal Issue: 20; ISSN 0021-8979

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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