Twinning in MAPbI3 at room temperature uncovered through Laue neutron diffraction

Sci Rep. 2020 Oct 6;10(1):16613. doi: 10.1038/s41598-020-73487-1.

Abstract

The crystal structure of MAPbI3, the signature compound of the hybrid halide perovskites, at room temperature has been a reason for debate and confusion in the past. Part of this confusion may be due to twinning as the material bears a phase transition just above room temperature, which follows a direct group-subgroup relationship and is prone to twinning. Using neutron Laue diffraction, we illustrate the nature of twinning in the room temperature structure of MAPbI3 and explain its origins from a group-theoretical point-of-view.