Preparation and structural study of LaMnO3 magnetic material

We report the crystallographic parameters of LaMnO3 obtained from X-ray diffraction data and electronic properties predictions using the density functional theory (DFT). LaMnO3 was prepared by the citrate precursor method (CPM). The initial solution was 0.1 M of each cation and the citrate nitrate r...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2008-07, Vol.320 (14), p.e19-e21
Main Authors: Moreno, L.C., Valencia, J.S., Landínez Téllez, D.A., Arbey Rodríguez M., J., Martínez, M.L., Roa-Rojas, J., Fajardo, F.
Format: Article
Language:English
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Summary:We report the crystallographic parameters of LaMnO3 obtained from X-ray diffraction data and electronic properties predictions using the density functional theory (DFT). LaMnO3 was prepared by the citrate precursor method (CPM). The initial solution was 0.1 M of each cation and the citrate nitrate relation was one. The solution was dried at 373 K; the yielded foam was annealed at 873 K and then was characterized by X-ray diffraction. Diffraction peaks show that the space group is R-3c (#167) with a=b =5.523 A and c=13.324 A (rhombohedrally distorted perovskite). Structural results of the Rietveld method have a matching of 97% with that obtained from the Structure Prediction Diagnostic Software. DFT calculation reveals a half-metallic character and its magnetic moment is about 2.0 muB.
ISSN:0304-8853
DOI:10.1016/j.jmmm.2008.02.052