Preparation and structural study of LaMnO₃ magnetic material

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• 作者：L.C. Moreno ; J.S. Valencia ; D.A. L ; &#xed ; nez Té ; llez ; J. Arbey Rodr&#xed ; guez M. ; M.L. Mart&#xed ; nez ; J. Roa-Rojas ; F. Fajardo
• 关键词：LaMnO₃ perovskite ; Density of states ; Rietveld refinement
• 刊名：Journal of Magnetism and Magnetic Materials
• 出版年：2008
• 期刊代码：31_03048853
• 类别：ph
• 出版时间：July 2008
• 卷：320
• 期：14
• 页码：e19-e21
• 文件大小：277 K

摘要

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 Å and c=13.324 Å (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 μ_B.