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AbstractAbstract
[en] 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 (no. 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 μB
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8. Latin American workshop on magnetism, magnetic materials and their applications; Rio de Janeiro (Brazil); 12-16 Aug 2007; S0304-8853(08)00062-0; Available from http://dx.doi.org/10.1016/j.jmmm.2008.02.052; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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