Effect of ionic substitutions on the magnetic properties of strontium hexaferrite: A first principles study | Zendy

Vivek Dixit | Zendy; SeongGon Kim | Zendy; Jihoon Park | Zendy; YangKi Hong | Zendy

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Effect of ionic substitutions on the magnetic properties of strontium hexaferrite: A first principles study

Author(s) -

Vivek Dixit,

SeongGon Kim,

Jihoon Park,

YangKi Hong

Publication year - 2017

Publication title -

aip advances

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.421

H-Index - 58

ISSN - 2158-3226

DOI - 10.1063/1.4995309

Subject(s) - strontium , density functional theory , materials science , ion , magnetic anisotropy , atom (system on chip) , anisotropy , magnetization , ionic bonding , substitution (logic) , crystallography , magnetic field , chemistry , computational chemistry , physics , computer science , quantum mechanics , programming language , organic chemistry , embedded system

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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