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| Grohsjean, Alexander |
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| Falmagne, G. |
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| Erice, C. |
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| Hernandez, A. M. Vargas |
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| Leiton, A. G. Stahl |
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| Lipka, K. |
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| Pantaleo, F. |
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| Torterotot, L. |
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| Savina, M. |
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| Cerri, O. |
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| Jung, A. W. |
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| Chiarito, B. |
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| Sahin, M. O. |
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| Strong, G. |
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| Saradhy, R. |
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| Joshi, B. M. |
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| Kaynak, B. |
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| Barrera, C. Baldenegro |
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| Longo, Egidio |
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| Kolberg, Ted |
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| Ferguson, Thomas |
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| Leverington, Blake |
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| Haase, Fabian |
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| Heath, Helen F. |
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| Kokkas, Panagiotis |
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Grundy, A.
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document
Thermodynamic Assessment of the La-Fe-O System
Abstract
The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling. Oxygen nonstoichiometry of perovskite-structured La1±x Fe1±y O3−δ is modeled using the compound energy formalism (CEF), and the model is submitted to a defect chemistry analysis. The contribution to the Gibbs energy of LaFeO3 due to a magnetic order-disorder transition is included in the model description. Lanthanum-doped hexaferrite, LaFe12O19, is modeled as a stoichiometric phase. Δf,elements°H 298K (LaFe12O19)=−5745kJ/mol, °S 298K (LaFe12O19)=683J/mol·K, and Δf,oxides°G (LaFe12O19)=4634−37.071T (J/mol) from 1073 to 1723K are calculated. The liquid phase is modeled using the two-sublattice model for ionic liquids. The calculated La-Fe phase diagram, LaO1.5-FeO x phase diagrams at different oxygen partial pressures, and phase equilibria of the La-Fe-O system at 873, 1073, and 1273K as a function of oxygen partial pressures are presented