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A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry

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Published/Copyright: January 12, 2011
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Volume 226 Issue 2

Abstract

New ferroelectrics can be predicted by considering the existence of pseudosymmetry with respect to a higher symmetry structure using the so-called atomic displacement method and investigating the minimal supergroups of the given structure’s space group. This analysis can be performed with the new version of the computer program PSEUDO, located at the Bilbao Crystallographic Server. After defining the procedures for the detection and quantification of pseudosymmetry, we present the new program, illustrating its use with worked cases of polar structures from the literature which are either known or reported as possible ferroelectrics.

Keywords: Pseudosymmetry; Ferroelectrics; Space groups; Computer software
* Correspondence address: Universidad del Pais Vasco, Fisica de la Materia Condensada, Apartado 644, 48080 Bilbao, Spanien,
Published Online: 2011-01-12
Published in Print: 2011-02

© by Oldenbourg Wissenschaftsverlag, Bilbao, Germany

Articles in the same Issue

  1. Preface: Advanced Ferroelectrics: Structure and Properties
  2. Compositional disorder, polar nanoregions and dipole dynamics in Pb(Mg1/3Nb2/3)O3-based relaxor ferroelectrics
  3. Spontaneous and induced surface piezoresponse in PbMg1/3Nb2/3O3 single crystals
  4. Diffuse scattering and local structure modeling in ferroelectrics
  5. Transformation processes in relaxor ferroelectric PbSc0.5Ta0.5O3 heavily doped with Nb and Sn
  6. Temperature-dependent synchrotron powder diffraction phase studies of (K0.37Na0.52Li0.03)(Nb0.87Ta0.1Sb0.03)O3 ferroelectric ceramics
  7. Polar states of the impurity system KTaO3:Li
  8. Neutron total scattering studies on A-site disorder in lead-free ferroelectric Bi0.5(Na1–xKx)0.5TiO3
  9. In situ neutron diffraction study of electric field induced structural transitions in lanthanum doped lead zirconate titanate
  10. A brief review on the model antiferroelectric PbZrO3 perovskite-like material
  11. Broadband dielectric investigations of indium rich CuInP2S6 layered crystals
  12. Ferroelectricity and superconductivity: competing or cooperating phenomena
  13. A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry
https://doi.org/10.1524/zkri.2011.1321
Keywords for this article
Pseudosymmetry; Ferroelectrics; Space groups; Computer software

Articles in the same Issue

  1. Preface: Advanced Ferroelectrics: Structure and Properties
  2. Compositional disorder, polar nanoregions and dipole dynamics in Pb(Mg1/3Nb2/3)O3-based relaxor ferroelectrics
  3. Spontaneous and induced surface piezoresponse in PbMg1/3Nb2/3O3 single crystals
  4. Diffuse scattering and local structure modeling in ferroelectrics
  5. Transformation processes in relaxor ferroelectric PbSc0.5Ta0.5O3 heavily doped with Nb and Sn
  6. Temperature-dependent synchrotron powder diffraction phase studies of (K0.37Na0.52Li0.03)(Nb0.87Ta0.1Sb0.03)O3 ferroelectric ceramics
  7. Polar states of the impurity system KTaO3:Li
  8. Neutron total scattering studies on A-site disorder in lead-free ferroelectric Bi0.5(Na1–xKx)0.5TiO3
  9. In situ neutron diffraction study of electric field induced structural transitions in lanthanum doped lead zirconate titanate
  10. A brief review on the model antiferroelectric PbZrO3 perovskite-like material
  11. Broadband dielectric investigations of indium rich CuInP2S6 layered crystals
  12. Ferroelectricity and superconductivity: competing or cooperating phenomena
  13. A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry
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