Persistent Jahn-Teller distortion across a high-temperature phase transition in (=Br, I)
Phys. Rev. B 113, 064110 – Published 18 February, 2026
DOI: https://doi.org/10.1103/pq3p-gr8w
Abstract
The structure of the chromium dihalides ( = Br, I) resembles that of many other transition-metal dihalides and dichalcogenides, but the Jahn-Teller distortion arising from the ions makes the structures distinct from most of these other compounds. Nevertheless, the compounds have received little study, with the helimagnetic order of and being reported only recently. We used neutron powder diffraction to study the structure of and at high temperature and found interpolytypic transitions in both of these compounds. Monoclinic () and orthorhombic () transition to the same polytype at high temperature, a distorted version of the structure with a space group and a monoclinic angle of . The phase transition occurs by layer sliding for and an additional change of layer orientation for . The intralayer structure is largely unchanged, with a possible small enhancement of the Jahn-Teller distortion on warming.