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Title: Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate system

Abstract

Using electron diffraction, trends in the local structural behaviour of the K{sub x}Na{sub 1-x}NbO{sub 3} (KNN x) 'solid solution' system are investigated and interpreted using an order/disorder based theoretical framework. At room temperature, electron diffraction shows a single plane of transverse polarised, diffuse intensity perpendicular to [0 1 0]{sub p} Low-Asterisk (p for parent sub-structure) across the entire phase diagram, indicative of ferroelectric disorder along the [0 1 0]{sub p} direction co-existing with long range ferroelectric order along the orthogonal [1 0 0]{sub p} and [0 0 1]{sub p} directions. An additional characteristic pattern of diffuse scattering is also observed, involving rods of diffuse intensity running along the [1 0 0]{sub p}* and [0 0 1]{sub p}* directions of the perovskite sub-structure and indicative of octahedral tilt disorder about the [1 0 0]{sub p} and [0 0 1]{sub p} axes co-existing with long range ordered octahedral tilting around the [0 1 0]{sub p} direction. A possible crystal chemical explanation for the existence of this latter octahedral tilt disorder is explored through bond valence sum calculations. The possible influence of both types of disorder on the previously refined, room temperature space group/s and average crystal structure/s is examined. - Graphical abstract:more » [-3,0.-1]p zone axis EDP of K{sub 0.46}Na{sub 0.54}NbO{sub 3} indexed according to both the relevant Pcm21 space groups (no subscripts) and the parent perovskite subcell (denoted by a subscript p). Highlights: Black-Right-Pointing-Pointer Characterises ferroelectric and octahedral tilt disorder in the KNN solid solution. Black-Right-Pointing-Pointer Discusses the possible driving forces for this disorder. Black-Right-Pointing-Pointer Discusses the implications of this disorder for physical properties. Black-Right-Pointing-Pointer Discusses the effects of this disorder on powder diffraction data.« less

Authors:
 [1];  [1]; ;  [1]
  1. Research School of Chemistry, The Australian National University, Canberra, ACT 0200 (Australia)
Publication Date:
OSTI Identifier:
22149885
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 195; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; CRYSTAL STRUCTURE; CRYSTALS; DIFFUSE SCATTERING; ELECTRON DIFFRACTION; FERROELECTRIC MATERIALS; NIOBATES; PEROVSKITE; PHASE DIAGRAMS; PHYSICAL PROPERTIES; PIEZOELECTRICITY; POTASSIUM; POWDERS; SOLID SOLUTIONS; SPACE GROUPS

Citation Formats

Schiemer, Jason, Withers, Ray L., E-mail: withers@rsc.anu.edu.au, Liu, Yun, and Yi, Zhiguo. Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate system. United States: N. p., 2012. Web. doi:10.1016/J.JSSC.2012.02.005.
Schiemer, Jason, Withers, Ray L., E-mail: withers@rsc.anu.edu.au, Liu, Yun, & Yi, Zhiguo. Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate system. United States. doi:10.1016/J.JSSC.2012.02.005.
Schiemer, Jason, Withers, Ray L., E-mail: withers@rsc.anu.edu.au, Liu, Yun, and Yi, Zhiguo. Thu . "Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate system". United States. doi:10.1016/J.JSSC.2012.02.005.
@article{osti_22149885,
title = {Ferroelectric and octahedral tilt twin disorder and the lead-free piezoelectric, sodium potassium niobate system},
author = {Schiemer, Jason and Withers, Ray L., E-mail: withers@rsc.anu.edu.au and Liu, Yun and Yi, Zhiguo},
abstractNote = {Using electron diffraction, trends in the local structural behaviour of the K{sub x}Na{sub 1-x}NbO{sub 3} (KNN x) 'solid solution' system are investigated and interpreted using an order/disorder based theoretical framework. At room temperature, electron diffraction shows a single plane of transverse polarised, diffuse intensity perpendicular to [0 1 0]{sub p} Low-Asterisk (p for parent sub-structure) across the entire phase diagram, indicative of ferroelectric disorder along the [0 1 0]{sub p} direction co-existing with long range ferroelectric order along the orthogonal [1 0 0]{sub p} and [0 0 1]{sub p} directions. An additional characteristic pattern of diffuse scattering is also observed, involving rods of diffuse intensity running along the [1 0 0]{sub p}* and [0 0 1]{sub p}* directions of the perovskite sub-structure and indicative of octahedral tilt disorder about the [1 0 0]{sub p} and [0 0 1]{sub p} axes co-existing with long range ordered octahedral tilting around the [0 1 0]{sub p} direction. A possible crystal chemical explanation for the existence of this latter octahedral tilt disorder is explored through bond valence sum calculations. The possible influence of both types of disorder on the previously refined, room temperature space group/s and average crystal structure/s is examined. - Graphical abstract: [-3,0.-1]p zone axis EDP of K{sub 0.46}Na{sub 0.54}NbO{sub 3} indexed according to both the relevant Pcm21 space groups (no subscripts) and the parent perovskite subcell (denoted by a subscript p). Highlights: Black-Right-Pointing-Pointer Characterises ferroelectric and octahedral tilt disorder in the KNN solid solution. Black-Right-Pointing-Pointer Discusses the possible driving forces for this disorder. Black-Right-Pointing-Pointer Discusses the implications of this disorder for physical properties. Black-Right-Pointing-Pointer Discusses the effects of this disorder on powder diffraction data.},
doi = {10.1016/J.JSSC.2012.02.005},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 195,
place = {United States},
year = {2012},
month = {11}
}