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Updated: Jun 3, 2026
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High Pressure Single Crystal Diffraction at PX^2
Published on: January 16, 2017
High-pressure powder neutron diffraction study on lead scandium niobate
B J Maier1, R J Angel, B Mihailova
1Mineralogisch-Petrographisches Institut, Universität Hamburg, 20146 Hamburg, Germany. bernd.maier@uni-hamburg.de
Summary
High pressure transforms lead scandium niobium oxide (PbSc(0.5)Nb(0.5)O(3)) structures via ordering of octahedral tilts and lead displacements. Unlike related materials, lead displacements in PSN distribute along specific crystallographic directions.
Area of Science:
- Materials Science
- Solid State Chemistry
- Crystallography
Background:
- Lead scandium niobium oxide (PbSc(0.5)Nb(0.5)O(3), PSN) is a perovskite material with complex structural properties.
- Understanding its behavior under pressure is crucial for potential applications in electronic devices.
Purpose of the Study:
- To investigate the structural evolution of PSN under high pressure.
- To elucidate the mechanisms driving phase transitions in PSN.
Main Methods:
- In situ powder neutron diffraction was employed to study PSN.
- Rietveld refinement was used to analyze the diffraction data.
Main Results:
- A continuous phase transition was observed at 4.1 GPa, linked to ordering of antiphase octahedral tilts and ferroic Pb displacements.
- Antiphase octahedral tilting was present even below the critical pressure, with a cubic metric.
- Pb displacements in PSN differ from PST, forming flattened discs parallel to {111}-planes, indicating random distribution along {110} directions.
Conclusions:
- The observed structural changes in PSN under pressure are driven by specific ordering phenomena.
- The unique Pb displacement patterns in PSN are attributed to underbonded oxygen atoms due to B-site disorder.
