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Journal of Advanced Ceramics 2012, 1(4): 274-282 https://doi.org/10.1007/s40145-012-0026-9
Research Article | Open Access | Issue | Published: 09 January 2013

Modeling the crystallographic structure of Ho(Ni,Co,Mn)O3±δ perovskite-type manganite

Show Author's Information C. Morilla-Santosa,  F. F. Ferreirab,  W. H. Schreinerc,  O. Peñad,  P. N. Lisboa-Filhoe,*( )
UNESP - Univ Estadual Paulista, POSMAT - Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, Bauru, Brazil
UFABC - Universidade Federal do ABC - Centro de Ciências Naturais e Humanas, Santo André, Brazil
UFPR - Universidade Federal do Paraná, Departamento de Física, Curitiba, Brazil
Sciences Chimies de Rennes UMR 6226, Université de Rennes 1, Rennes, France
UNESP - Univ Estadual Paulista, Faculdade de Ciências, Departamento de Física, Bauru, Brazil
Keywords:
crystallographic structure, X-ray powder diffraction, Rietveld refinement, manganites
Cite this article:
Morilla-Santos C, Ferreira FF, Schreiner WH, et al. Modeling the crystallographic structure of Ho(Ni,Co,Mn)O3±δ perovskite-type manganite. Journal of Advanced Ceramics, 2012, 1(4): 274-282. https://doi.org/10.1007/s40145-012-0026-9
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Abstract Full text About this article

Crystallographic and microstructural properties of Ho(Ni,Co,Mn)O3±δ perovskite-type multiferroic material are reported. Samples were synthesized with a modified polymeric precursor method. The synchrotron X-ray powder diffraction (SXRPD) technique associated to Rietveld refinement method was used to perform structural characterization. The crystallographic structures, as well as microstructural properties, were studied to determine unit cell parameters and volume, angles and atomic positions, crystallite size and strain. X-ray energies below the absorption edges of the transition metals helped to determine the mean preferred atomic occupancy for the substituent atoms. Furthermore, analyzing the degree of distortion of the polyhedra centered at the transitions metal atoms led to understanding the structural model of the synthesized phase. X-ray photoelectron spectroscopy (XPS) was performed to evaluate the valence states of the elements, and the tolerance factor and oxygen content. The obtained results indicated a small decrease distortion in structure, close to the HoMnO3 basis compound. In addition, the substituent atoms showed the same distribution and, on average, preferentially occupied the center of the unit cell.


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Modeling the crystallographic structure of Ho(Ni,Co,Mn)O3±δ perovskite-type manganite

Show Author's information C. Morilla-Santosa, F. F. Ferreirab, W. H. Schreinerc, O. Peñad, P. N. Lisboa-Filhoe,*( )
UNESP - Univ Estadual Paulista, POSMAT - Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, Bauru, Brazil
UFABC - Universidade Federal do ABC - Centro de Ciências Naturais e Humanas, Santo André, Brazil
UFPR - Universidade Federal do Paraná, Departamento de Física, Curitiba, Brazil
Sciences Chimies de Rennes UMR 6226, Université de Rennes 1, Rennes, France
UNESP - Univ Estadual Paulista, Faculdade de Ciências, Departamento de Física, Bauru, Brazil

Abstract

Crystallographic and microstructural properties of Ho(Ni,Co,Mn)O3±δ perovskite-type multiferroic material are reported. Samples were synthesized with a modified polymeric precursor method. The synchrotron X-ray powder diffraction (SXRPD) technique associated to Rietveld refinement method was used to perform structural characterization. The crystallographic structures, as well as microstructural properties, were studied to determine unit cell parameters and volume, angles and atomic positions, crystallite size and strain. X-ray energies below the absorption edges of the transition metals helped to determine the mean preferred atomic occupancy for the substituent atoms. Furthermore, analyzing the degree of distortion of the polyhedra centered at the transitions metal atoms led to understanding the structural model of the synthesized phase. X-ray photoelectron spectroscopy (XPS) was performed to evaluate the valence states of the elements, and the tolerance factor and oxygen content. The obtained results indicated a small decrease distortion in structure, close to the HoMnO3 basis compound. In addition, the substituent atoms showed the same distribution and, on average, preferentially occupied the center of the unit cell.

Keywords: crystallographic structure, X-ray powder diffraction, Rietveld refinement, manganites

References(32)

[1]
Dagotto E, Burgy J, Moreo A. Nanoscale phase separation in colossal magnetoresistance materials: Lessons for the cuprates. Solid State Communications 2003, 126:9-22.
DOI Google Scholar
[2]
Antunes AB, Ceretti M, Paulus W, et al. Magnetic domains and anisotropy in single crystals of Er(Co,Mn)O3. J Magn Magn Mater 2008, 320:e69-e72.
DOI Google Scholar
[3]
Barahona P, Peña O, Antunes AB, et al. Magnetic properties of Mn-substituted GdCoxMn1-xO3 and LaCoxMn1-xO3. J Magn Magn Mater 2008, 320:e61-e64.
DOI Google Scholar
[4]
Antunes AB, Gil V, Moure C, et al. Magnetic properties of Er(Co,Mn)O3 perovskites. J Eur Ceram Soc 2007, 27:3927-3930.
DOI Google Scholar
[5]
Moure C, Tartaj J, Moure A, et al. Crystalline structure of the manganites solid solution RE(Me,Mn)O3, (RE=Gd, Er; Me=Ni, Co). Bol Soc Esp Ceram 2009, 48:199-204.
Google Scholar
[6]
Gatalskaya VI, Shiryaev SV, Barilo SN, et al. Low-temperature magnetic properties of HoMn0.5Co0.5O3 single crystals. Physics of the Solid State 2005, 47:1265-1269.
Google Scholar
[7]
Goldschmidt VM. Geochemische Verteilungsgesetze der Elemente. Jacob Dybwad-Verlag Oslo,1927-1928:vol Ⅶ-Ⅷ.
Google Scholar
[8]
Tokura Y, Tomioka Y. Colossal magnetoresistive manganites. J Magn Magn Mater 1999, 200:1-23.
DOI Google Scholar
[9]
Coey JMD, Viret M, von Molnár S. Mixed-valence manganites. Adv Phys 1999, 48:167-293.
DOI Google Scholar
[10]
Ferreira FF, Granado E, Carvalho Jr W, et al. X-ray powder diffraction beamline at D10B of LNLS: Application to the Ba2FeReO6 double perovskite. J Synchrotron Rad 2006, 13:46-53.
DOI Google Scholar
[11]
Ferreira FF, Bueno PR, Setti GO, et al. Resonant X-ray diffraction as a tool to calculate mixed valence ratios: Application to Prussian blue materials. Appl Phys Lett 2008, 92:264103/1-264103/3.
DOI Google Scholar
[12]
Rietveld HM. A profile refinement method for nuclear and magnetic structures. J Appl Cryst 1969, 2:65-71.
DOI Google Scholar
[13]
Young RA.The Rietveld Method. Oxford:Oxford University Press, 1993.
[14]
Mouallem-Bahout M, Roisnel T, Bourée F, et al. Neutron diffraction evidence for a cationic order in the REMn0.5Ni0.5O3 (RE = La, Nd) and YMn0.5Co0.5O3 perovskites. Prog Solid State Chem 2007, 35:257-264.
DOI Google Scholar
[15]
Brinks HW, Rodriguez-Carvajal J, Fjellvag H, et al. Crystal and magnetic structure of orthorhombic HoMnO3. Phys Rev B 2001, 63:094411/1-094411/12.
DOI Google Scholar
[16]
Muñoz A, Casáis MT, Alonso JA, et al. Complex magnetism and magnetic structures of the metastable HoMnO3 perovskite. Inorg Chem 2001, 40:1020-1028.
DOI Google Scholar
[17]
Jadhao VG, Singru RM, Rama RG, et al. Effect of the rare earth ion on the spin state equilibria in perovskite rare earth metal cobaltates. Yttrium trioxocobaltate (Ⅲ) and erbium trioxocobaltate (Ⅲ). J Chem Soc 1975, 71:1885-1893.
DOI Google Scholar
[18]
Fernández-Díaz MT, Alonso JA, Martınez-Lope MJ, et al. Magnetic structure of the HoNiO3 perovskite. Phys Rev B 2001, 64:144417/1-144417/5.
Google Scholar
[19]
Pechini MP. Method of preparing lead and alkaline earth titanates and niobates and coating method using the same to form a capacitor. U. S. Patent, 3330697, July 1967.
[20]
Kakihana M. Sol-gel preparation of high temperature superconducting oxides. Journal of Sol-Gel Science and Technology 1996, 6:7-55.
DOI Google Scholar
[21]
Tai LW, Lessing PA. Modified resin-intermediate processing of perovskite powders: Part I. Optimization of polymeric precursors. J Mater Res 1992, 7:502-510.
DOI Google Scholar
[22]
Shirley R.The Crysfire System for Automatic Powder Indexing:Users Manual. England:The Lattice Press, 2000.
[23]
Cullity BD.Elements of X-ray Diffraction. New Jersey:Prentice Hall, 2001.
DOI
[24]
Internationl Tables for Crystallography, Volume A-Space Group Symmetry. D. Reidel Publishing Company, 1983.
[25]
Larson AC, von Dreele RB. General Structure Analysis System (GSAS). Los Alamos National Laboratory Report LAUR 86-748, 2004.
[26]
Toby BH. EXPGUI, a graphical user interface for GSAS. J Appl Cryst 2001, 34:210-213.
DOI Google Scholar
[27]
Brinks HW, Fjellvag H, Kjekshus A. Synthesis of metastable perovskite-type YMnO3 and HoMnO3. J Solid State Chem 1997, 129:334-340.
DOI Google Scholar
[28]
Moulder JF, Stickle WF, Sobol PE, et al.Handbook of X-ray Photoelectron Spectroscopy.Eden Prairie:Perkin-Elmer Corporation,1995.
[29]
von Dreele RB. Program FPrime for Windows 1.0 for calculating real and anomalous X-ray dispersion coefficients. 1994. http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/gsas/public/gsas/windows/.
[30]
Thompson P, Cox DE, Hastings JB. Rietveld refinement of Debye-Scherrer synchrotron X-ray data from A1203. J Appl Cryst 1987, 20:79-83.
DOI Google Scholar
[31]
Finger LW, Cox DE, Jephcoat AP. Acorrection for powder diffraction peak asymmetry due to axial divergence. J Appl Cryst 1994, 27:892-900.
DOI Google Scholar
[32]
Stephens PW. Phenomenological model of anisotropic peak broadening in powder diffraction. J Appl Cryst 1999, 32:281-289.
DOI Google Scholar
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Publication history

Received: 01 September 2012
Accepted: 03 November 2012
Published: 09 January 2013
Issue date: December 2012

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© The author(s) 2012

Acknowledgements

The authors acknowledge the financial support of the Brazilian funding agencies CNPq and FAPESP, and thank for CAPES-COFECUB exchange program (706/2011).

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