Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study
Abstract
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.
- Authors:
-
- 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)
- Publication Date:
- OSTI Identifier:
- 22492966
- Resource Type:
- Journal Article
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 118; Journal Issue: 20; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ABUNDANCE; ANISOTROPY; DENSITY FUNCTIONAL METHOD; FERRITES; GALLIUM; INDIUM; MAGNETIC PROPERTIES; MAGNETIZATION; PROBABILITY; STRONTIUM COMPOUNDS
Citation Formats
Dixit, Vivek, Nandadasa, Chandani N., Kim, Seong-Gon, Kim, Sungho, Park, Jihoon, and Hong, Yang-Ki. Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study. United States: N. p., 2015.
Web. doi:10.1063/1.4936368.
Dixit, Vivek, Nandadasa, Chandani N., Kim, Seong-Gon, Kim, Sungho, Park, Jihoon, & Hong, Yang-Ki. Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study. United States. https://doi.org/10.1063/1.4936368
Dixit, Vivek, Nandadasa, Chandani N., Kim, Seong-Gon, Kim, Sungho, Park, Jihoon, and Hong, Yang-Ki. 2015.
"Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study". United States. https://doi.org/10.1063/1.4936368.
@article{osti_22492966,
title = {Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study},
author = {Dixit, Vivek and Nandadasa, Chandani N. and Kim, Seong-Gon and Kim, Sungho and Park, Jihoon and Hong, Yang-Ki},
abstractNote = {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.},
doi = {10.1063/1.4936368},
url = {https://www.osti.gov/biblio/22492966},
journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 20,
volume = 118,
place = {United States},
year = {Sat Nov 28 00:00:00 EST 2015},
month = {Sat Nov 28 00:00:00 EST 2015}
}