Octahedral tilt instability of ReO3 -type crystals

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

*此作品的通信作者

研究成果: 雜誌貢獻期刊論文同行評審

11 引文 斯高帕斯(Scopus)

摘要

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.

原文英語
文章編號172102
期刊Physical Review B - Condensed Matter and Materials Physics
73
發行號17
DOIs
出版狀態已發佈 - 2006
對外發佈

ASJC Scopus subject areas

  • 電子、光磁材料
  • 凝聚態物理學

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