Effect of the cations distribution on the magnetic properties of SnFe2O4: First-principles study

•SnFe2O4 a new half-metal spinel oxides for spintronic application.•The most stable normal spinel structures are identified for SnFe2O4.•Spin-polarized calculations give a half-metallic character for SnFe2O4. In this work, a study of the electronic and magnetic properties of SnFe2O4 spinel ferrite f...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2017-08, Vol.436, p.6-10
Main Authors: Lamouri, R., Tadout, M., Hamedoun, M., Benyoussef, A., Ez-zahraouy, H., Benaissa, M., Mounkachi, O.
Format: Article
Language:English
Subjects:
Ab initio calculation
Density functional theory
Electromagnetism
Electron spin
Ferrites
FP-LAPW method
Magnetic fields
Magnetic moments
Magnetic properties
Mathematical analysis
SnFe2O4
Spinel
Spinel ferrites
Spintronic
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Summary:•SnFe2O4 a new half-metal spinel oxides for spintronic application.•The most stable normal spinel structures are identified for SnFe2O4.•Spin-polarized calculations give a half-metallic character for SnFe2O4. In this work, a study of the electronic and magnetic properties of SnFe2O4 spinel ferrite for different case of octahedral and tetrahedral distribution was carried out by using the Full Potential Linearized Plane Wave (FP-LAPW) method in density functional theory (DFT) implemented in the WIEN2K package, with the generalized gradient (GGA) and Tran-Blaha modified Becke-Johnson approximations for the exchange and correlation functional. Our spin-polarized calculations based on mBJ correction show a half metallic behavior for SnFe2O4 which confirm the usefulness of SnFe2O4 in spintronic application. From the magnetic properties calculations, it is found that the magnetic moment per formula unit is 8.0327 µβ, 0.000015 µβ and 3.99µβ in SnFe2O4 100% normal, 100% inverse and 50% inverse, respectively.
ISSN:0304-8853
1873-4766
DOI:10.1016/j.jmmm.2017.03.075