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

Abstract

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.

Authors:

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

Publication Date:: Mon Nov 30 00:00:00 EST 2015

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

OSTI Identifier:: 1420614

Grant/Contract Number:: AR0000189

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Name: Journal of Applied Physics Journal Volume: 118 Journal Issue: 20; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

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.

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                    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

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                    Dixit, Vivek, Nandadasa, Chandani N., Kim, Seong-Gon, Kim, Sungho, Park, Jihoon, and Hong, Yang-Ki. Mon .  
"Site preference and magnetic properties of Ga/In-substituted strontium hexaferrite: An ab initio study".  United States.  https://doi.org/10.1063/1.4936368.

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@article{osti_1420614,

  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 (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.},

  doi          = {10.1063/1.4936368},

  journal      = {Journal of Applied Physics},

  number       = 20,

  volume       = 118,

  place        = {United States},

  year         = {Mon Nov 30 00:00:00 EST 2015},

  month        = {Mon Nov 30 00:00:00 EST 2015}

}

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Saturation magnetization of some ferrimagnetic oxides with hexagonal crystal structures
journal, January 1957

Preparation of aluminium, gallium or indium-substituted BaFe12O19 powders by the glass-ceramic method
journal, January 1992

Magnetism in La substituted Sr hexaferrite
journal, May 2005

Dielectric and magnetic properties of Mg–Ti substituted barium hexaferrite
journal, July 2013

The role of cations distribution on magnetic and reflection loss properties of ferrimagnetic SrFe12−x(Sn0.5Zn0.5)xO19
journal, May 2010

Maximum energy product at elevated temperatures for hexagonal strontium ferrite (SrFe12O19) magnet
journal, April 2014

Magnetic properties of Co–Ti substituted barium hexaferrite
journal, January 2013

A study of the magnetic properties of hydrothermally synthesised Sr hexaferrite with Sm substitution
journal, September 2001

Correlation between site preference and magnetic properties of substituted strontium ferrite thin films
journal, June 2011

Correlation between site preference and magnetic properties of Co–Zr doped BaCo x Zr x Fe (12 −2 x ) O 19 prepared under sol–gel and citrate precursor sol–gel conditions
journal, December 2014

High-precision sampling for Brillouin-zone integration in metals
journal, August 1989

The effect of lattice vibrations on substitutional alloy thermodynamics
journal, January 2002

Magnetic properties of Al, Ga, Sc, In substituted barium ferrites: A comparative analysis
journal, January 1979

A study of Pr-substituted strontium hexaferrite by hydrothermal synthesis
journal, November 2005

Magnetism of mixed valence (LaSr) hexaferrites
journal, February 2005

Magnetic and structural properties of BaFe12−xGaxO19 nanoparticles
journal, January 2010

Synthesis and magnetic properties of La-substituted M-type Sr hexaferrites
journal, December 2009

57Fe Mössbauer spectroscopic investigation of complex magnetic structures in Ga, Sc, and In substituted M -type hexagonal ferrites
journal, April 1999

Improvement of the coercivity of strontium hexaferrite induced by substitution of Al3+ ions for Fe3+ ions
journal, October 2012

Physical Theory of Ferromagnetic Domains
journal, October 1949

Finite size effects on the magnetocrystalline anisotropy energy in Fe magnetic nanowires from first principles
journal, March 2013