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Evidence of half-metallic behaviour for FeFe2O4
Faculty
Science
Year:
2016
Type of Publication:
ZU Hosted
Pages:
Authors:
Elsaid Mahmoud Ahmed ebrahem
Staff Zu Site
Abstract In Staff Site
Journal:
IOSR Journal of Applied Physics IOSR-JAP
Volume:
Keywords :
Evidence , half-metallic behaviour , FeFe2O4
Abstract:
The electronic structure and magnetic properties of Fe3O4 have been studied by density functional method in the frame of local density approximation. Gradually reducing the symmetry has been used to establish different cation distribution of the studied compound. This symmetry cracking introduces some evidences for the half-metallicity of Fe3O4. Different experimental distributions, of cations Fe+2 and Fe+3 between tetrahedral A-site and octahedral B-site for spinel structure, have been calculated. The magnetic anisotropy through the spin-orbit coupling (SOC) has been calculated, where the results revealed a pronounced agreement with the experimental results. These SOC calculations have been conducted for different directions of the magnetization, where semiconductor and metallic behavior for majority and minority channels, respectively, are still found respectively. As for Fe in B-site, the spin orbital angular momentum coupling component of the magnetic momentis considerably larger than that for Fe in A-site. This urges some states of Fe-3d electrons on B-siteto have higher energy states than the Fermi energy.
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Elsaid Mahmoud Ahmed ebrahem, "Electronic structure calculations for ZnFe2 O4", PHYSICAL REVIEW B, 2011
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Elsaid Mahmoud Ahmed ebrahem, "Theoretical investigation of MnFe2O4", elsevier, 2013
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Elsaid Mahmoud Ahmed ebrahem, "The stacking of antifluorite Fe2P2 layer on the electronic structure of the ternary compounds CaFe2P2, BaFe2P2 and EuFe2P2", Computational Materials Science, 2016
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