Abstract:The phase evolution of yttrium iron garnet (YIG) during reaction 3Y2O3-5Fe2O3 was investigated by modifying Fe2O3 particle sizes (FPS). Five different sizes of Fe2O3, (d50) are used to prepare YIG powder. Solid state reaction (SSR) was applied at 1200 °C in order to gain insight on the effect of FPS towards the YIG formation. Rietveld refinement method was used to quantify the amount of YIG yielded (%). Larger FPS (> 50 μm) initiates only 5Fe2O3 + 3Y2O3 à 3YFeO3 + Fe2O3 + Y3Fe5O12.. However, when the fine … Show more
“…1. The electronic configuration of the developed model are based on Fe-3d 6 4s 2 , Y-4s 2 4p 6 4d 1 5s 2 and O-2s 2 4p 4 with lattice parameters a = b = c is 12.365 Å [14] and symmetry constraints α = β = γ = 90 o . The model was simulated and optimized in a YIG supercell of 2 x 2 x 1 (as per Fig.…”
Numerous materials characteristic including yttrium iron garnet (YIG) are directly dependent on its crystal structure; phase diversity. However, only a few examination of energy and its mechanism at atomistic scales was reported. In this article, a density functional theory (DFT) based calculations have been carried out to study electronic properties of cubic Y3Fe5O12 (YIG) at its known active sites; (0,0,4), (2,2,4) and (2,2,4). The density of state (DOS) these sites were presented at-19 eV to-14 eV for lower valance band and-6 eV to 0 for upper valance band. Both (0,0,4) and (0,2,4) planes shows highest possibility of cation substitution since the energy substitution are the lowest (~40 KeV). (2,2,4) plane composed of O-O interaction in which would contribute to the oxygen vacancy.
“…1. The electronic configuration of the developed model are based on Fe-3d 6 4s 2 , Y-4s 2 4p 6 4d 1 5s 2 and O-2s 2 4p 4 with lattice parameters a = b = c is 12.365 Å [14] and symmetry constraints α = β = γ = 90 o . The model was simulated and optimized in a YIG supercell of 2 x 2 x 1 (as per Fig.…”
Numerous materials characteristic including yttrium iron garnet (YIG) are directly dependent on its crystal structure; phase diversity. However, only a few examination of energy and its mechanism at atomistic scales was reported. In this article, a density functional theory (DFT) based calculations have been carried out to study electronic properties of cubic Y3Fe5O12 (YIG) at its known active sites; (0,0,4), (2,2,4) and (2,2,4). The density of state (DOS) these sites were presented at-19 eV to-14 eV for lower valance band and-6 eV to 0 for upper valance band. Both (0,0,4) and (0,2,4) planes shows highest possibility of cation substitution since the energy substitution are the lowest (~40 KeV). (2,2,4) plane composed of O-O interaction in which would contribute to the oxygen vacancy.
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