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    Impact of metal cation on chiral properties of 2D halide perovskites

    Mike Pols1,*, Helena Boom1, Geert Brocks1,2, Sofía Calero1, and Shuxia Tao1,†

    • 1Materials Simulation & Modelling, Department of Applied Physics and Science Education, Eindhoven University of Technology, 5600 MB Eindhoven, The Netherlands
    • 2Computational Chemical Physics, Faculty of Science and Technology and MESA+ Institute for Nanotechnology, University of Twente, 7500 AE Enschede, The Netherlands

    • *Contact author: m.c.w.m.pols@tue.nl
    • †Contact author: s.x.tao@tue.nl

    Phys. Rev. Materials 9, 113601 – Published 14 November, 2025

    DOI: https://doi.org/10.1103/mxyl-tqjb

    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 MBA2SnxPb1−xI4 (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 MBA2SnI4 are substantially more chiral than in MBA2PbI4, 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.

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