Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites (2508.00158v1)

Abstract: Chiral two-dimensional (2D) halide perovskites are formed by embedding chiral organic cations in a perovskite crystal structure. The chirality arises from distortions of the 2D metal halide layers induced by the packing of these organic cations. Sn-based octahedra spontaneously distort, but it remains unclear whether this intrinsic structural instability enhances the chirality. We investigate the effect of the metal cation on structural and phonon chirality in MBA${2}$Sn${\mathrm{x}}$Pb${1-\mathrm{x}}$I${4}$ (x = 0, 1/2, and 1). Incorporating Sn does distort the metal halide octehedra, yet it only has a minor impact on the structural chirality. In contrast, the phonons in MBA${2}$SnI${4}$ are substantially more chiral than in MBA${2}$PbI${4}$, especially the in-plane acoustic modes. However, this enhanced phonon chirality does not lead to a generation of a larger angular momentum under a temperature gradient, because the contributions of different chiral phonons tend to compensate one another.