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porous lanthanum ferrite LaFeO3 has been elaborated with wet chemical method. We have employed both DFT simulation and Rietveld refinement to understand deeply the complex optical behavior accurate in synthesized Nano-powders [1], with different amount of silver as dopant, and also evaluate the stoichiometry-optical properties relationship in this insulator oxide. It found that all samples, with different gap value depending on the silver concentration, exhibit a p-type semiconductor with a direct gap in the visible light spectrum. The results showed that lanthanum defects present in the synthesized samples improve optical absorption [2] in the visible range comparing with bulk calculated spectrum making it potentially useful in solar photovoltaic application.
[1] H.M. Rietveld, J. Appl. Crystallogr. 2 65–71(1969).
[2] R. Newman, R. M. Chrenko. Physical Review, 114(6), 1507(1959)