English

High Temperature Jahn-Teller Distortion and Short Range Order in CsCuCl$_3$

Materials Science 2026-05-28 v1

Abstract

CsCuCl3_3, chiral and Jahn-Teller distorted at room temperature, takes a more symmetric structure above 423K. Describing this 'simpler' high temperature structure is far from simple and has been the subject of many, sometimes contradicting, studies. Here we reinvestigate the high temperature structure of CsCuCl3_3, its thermal stability, and its effect on room temperature chirality. In situ pair distribution function data from powder neutron diffraction confirms that CsCuCl3_3 is Jahn-Teller distorted both below and above Tc_c, and provides a quantitative view of short range order in the high temperature structure. In situ powder x-ray diffraction shows that CsCuCl3_3 does not undergo any additional structural changes above 423K and is congruently melting. In situ single crystal x-ray diffraction experiments reveal that the phase transition induces domains of mixed handedness in originally homochiral crystals. These findings contribute to a better understanding of phase transitions in Jahn-Teller distorted compounds, and highlight the potential use of phase transitions to control chiral domains.

Keywords

Cite

@article{arxiv.2605.28288,
  title  = {High Temperature Jahn-Teller Distortion and Short Range Order in CsCuCl$_3$},
  author = {Emma A. Pappas and Toby Woods and Jue Liu and Daniel P. Shoemaker},
  journal= {arXiv preprint arXiv:2605.28288},
  year   = {2026}
}

Comments

13 pages, 14 figures

R2 v1 2026-07-22T07:36:53.988Z