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Related Experiment Video

Updated: May 21, 2026

Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain

Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain

Published on: March 27, 2018

Extraordinarily complex crystal structure with mesoscopic patterning in barium at high pressure.

I Loa¹, R J Nelmes, L F Lundegaard

¹SUPA, School of Physics and Astronomy, and Centre for Science at Extreme Conditions, The University of Edinburgh, Mayfield Road, Edinburgh EH9 3JZ, UK. I.Loa@ed.ac.uk

Nature Materials

|June 12, 2012

Summary

Researchers determined the complex crystal structure of barium phase IVc at high pressure using advanced X-ray diffraction. This reveals intricate nanoscale patterns, offering insights into elemental barium

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Chemical Synthesis of Porous Barium Titanate Thin Film and Thermal Stabilization of Ferroelectric Phase by Porosity-Induced Strain

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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

Published on: October 10, 2014

Area of Science:

Condensed Matter Physics
Materials Science
Crystallography

Background:

Elemental barium exhibits complex high-pressure phases.
Some barium crystal structures have remained undetermined for years due to their complexity.

Purpose of the Study:

To determine the crystal structure of the most complex barium phase (Ba-IVc) at high pressure (19 GPa).
To understand the underlying reasons for the stability of complex barium phases over simple ones under pressure.

Main Methods:

Single-crystal synchrotron X-ray diffraction.
Advanced data analysis strategies.
First-principles electronic structure calculations.
Pseudopotential theory.

Main Results:

The crystal structure of Ba-IVc at 19 GPa was solved, revealing a commensurate host-guest structure with 768 atoms per unit cell.
A unique two-dimensional pattern of interlocking S-shaped 12-chain motifs was identified.
Nanoscale patterning suggests medium-range interactions not fully screened by electrons.

Conclusions:

The study successfully elucidated the complex Ba-IVc crystal structure.
The findings provide insights into the role of pressure-induced electronic s-d transfer in stabilizing complex structures.
The results rationalize the energetic preference for complex structures like Ba-IVc over densely packed phases at high pressures.