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Issue 22, 2017
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Tailoring phase transition temperatures in perovskites via A-site vacancy generation

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Abstract

The structures across the Sr0.8Ti0.6−xZrxNb0.4O3, 0 ≤ x ≤ 0.6, defect perovskite series were investigated using complementary synchrotron X-ray and neutron powder diffraction data. The locations of second order compositional and temperature dependent phase transitions between the high symmetry cubic Pm[3 with combining macron]m phase and the lower symmetry tetragonal I4/mcm phase were determined. Deviation of the oxygen x coordinate from the high symmetry value and the B–O–B bond angle from 180° as well as the tetragonal strain squared were each found to be suitable order parameters to monitor the transitions. Tolerance factor calculations confirmed that these A-site deficient perovskites retain a higher symmetry to a lower value than their fully occupied counterparts. Therefore, adjusting vacancy concentrations can be employed as a general strategy to design compounds with specifically tailored phase transition temperatures.

Graphical abstract: Tailoring phase transition temperatures in perovskites via A-site vacancy generation

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Publication details

The article was received on 30 Jan 2017, accepted on 14 May 2017 and first published on 24 May 2017


Article type: Paper
DOI: 10.1039/C7DT00352H
Dalton Trans., 2017,46, 7253-7260
  • Open access: Creative Commons BY-NC license
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    Tailoring phase transition temperatures in perovskites via A-site vacancy generation

    T. A. Whittle, W. R. Brant, J. R. Hester, Q. Gu and S. Schmid, Dalton Trans., 2017, 46, 7253
    DOI: 10.1039/C7DT00352H

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