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Ferroic phase transition in LaEr(MoO4)3

Published online by Cambridge University Press:  14 November 2013

A. Hernández-Suárez ,
C. Guzmán-Afonso ,
J. López-Solano ,
C. González-Silgo ,
M. E. Torres ,
N. Sabalisck ,
E. Matesanz  and
J. Rodríguez-Carvajal
A. Hernández-Suárez*
Affiliation:
Dpto. de Física Básica, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
C. Guzmán-Afonso
Affiliation:
Dpto. de Física Fundamental y Experimental, Electrónica y Sistemas, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
J. López-Solano
Affiliation:
Dpto. de Física Fundamental II, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
C. González-Silgo
Affiliation:
Dpto. de Física Fundamental II, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
M. E. Torres
Affiliation:
Dpto. de Física Básica, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
N. Sabalisck
Affiliation:
Dpto. de Física Básica, Universidad de La Laguna, Avda. Astrofísico Fco. Sánchez, s/n, 38206 La Laguna, Tenerife, Spain
E. Matesanz
Affiliation:
C.A.I. Difracción de Rayos X, Universidad Complutense de Madrid, 28040 Madrid, Spain
J. Rodríguez-Carvajal
Affiliation:
Institut Laue-Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble Cedex 9, France
*
a) Electronic mail: [email protected]
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Abstract

The ferroic phase transition in LaEr(MoO4)3 has been analyzed for the first time. It has been confirmed that this compound undergoes a phase transition from a tetragonal system (paraelectric-paraelastic phase), with space group P-421 m [β-Gd2(MoO4)3 averaged phase] to an orthorhombic system (ferroelectric-ferroelastic phase), with space group Pba2 [β'-Gd2(MoO4)3 phase] in a reversible process. This phenomenon, together with the observed demixing at high temperature has been studied using different techniques. LaEr(MoO4)3 samples have been obtained by the conventional solid-state synthesis. The thermal dependence of the crystal structure was studied by powder X-ray and neutron diffraction, following a new refining procedure in which the symmetry modes of atomic displacements from the paraelectric-paraelastic structure were analyzed. Dielectric spectroscopy measurements have confirmed the structural results, showing a very smooth phase transition. Finally, calculations within the framework of Density Functional Theory show a behavior of the lattice parameters similar to that observed in our experiments.

Keywords

powder diffractionferroicphase transitiondielectric spectroscopydensity functional theory
Type
Technical Articles
Information
Powder Diffraction , Volume 28 , Supplement S2 , September 2013 , pp. S86 - S93
Copyright
Copyright © International Centre for Diffraction Data 2013 

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