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Article

High-Pressure Structural and Vibrational Study of PbZr_0.40Ti_0.60O₃

J. Rouquette*^†, J. Haines^†, G. Fraysse^†, A. Al-Zein^†^‡, V. Bornand^†, M. Pintard^†, Ph. Papet^†, S. Hull^§ and F. A. Gorelli^∥

Institut Charles Gerhardt UMR CNRS 5253, Université de Montpellier II Sciences et Techniques du Languedoc, Equipe Physico-chimie des Matériaux Organisés Fonctionnels, Place E. Bataillon cc 1503, 34095 Montpellier cedex, France, Laboratoire des Colloïdes, Verres et Nanomatériaux (LCVN), UMR 5587 CNRS, University of Montpellier II, F-34095 Montpellier, France, The ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, United Kingdom, and LENS and INFM, Via Nello Carrara 1, 50019 Sesto Fiorentino, Florence, Italy

Inorg. Chem., 2008, 47 (21), pp 9898–9904

DOI: 10.1021/ic8008688

Publication Date (Web): October 9, 2008

* Author to whom correspondence should be addressed. E-mail: jerome@lpmc.univ-montp2.fr.

†

Université de Montpellier II Sciences et Techniques du Languedoc.

‡

Laboratoire des Colloïdes, Verres et Nanomatériaux (LCVN), UMR 5587 CNRS, University of Montpellier II.

The ISIS Facility.

∥

LENS and INFM.

Abstract

The high-pressure structure and dynamics of PbZr_0.40Ti_0.60O₃ were investigated by means of neutron diffraction, X-ray diffraction, and resonance Raman spectroscopy. The complex (P4mm, Cm, Cc, F1, F1̅) phase transition sequence is characterized by these techniques. On the basis of the results of structure refinements, the high-pressure behavior of the spontaneous polarization, the (Zr,Ti)O₆ rotation angles, and the polarization rotation angle are obtained. Moreover, resonance Raman spectra combined with previous Raman data in the literature provide evidence that the pressure-induced transition to the monoclinic Cm space group and the above transition sequence terminating in a paraelectric state are general features of Pb(Zr_1−xTi_x)O₃ (0.48 ≤ x ≤ 1).