Octahedral tilt instability of ReO3 -type crystals

Philip B. Allen*, Yiing Rei Chen, Santanu Chaudhuri, Clare P. Grey

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


The octahedron tilt transitions of AB X3 perovskite-structure materials lead to antipolar arrangements of dipoles, with the low temperature (T) structure having six sublattices polarized along various crystallographic directions. It is shown that an important mechanism driving the transition is long-range dipole-dipole forces acting on both displacive and induced parts of the anion dipole. This acts in concert with short-range repulsion, allowing a gain of electrostatic (Madelung) energy, both dipole-dipole and charge-charge, because the unit cell shrinks when the hard ionic spheres of the rigid octahedron tilt out of a linear alignment.

Original languageEnglish
Article number172102
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number17
Publication statusPublished - 2006
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


Dive into the research topics of 'Octahedral tilt instability of ReO3 -type crystals'. Together they form a unique fingerprint.

Cite this