Coupled Kite-to-Square Distortion Transition and Physical Properties in 2D Lead Halide Perovskite

Abstract

2D lead halide perovskites showcase diverse electrical and optoelectrical properties due to their adaptable structural distortion, which dictates the symmetry characteristics of the material. To accommodate the geometric shape of the cation, the inorganic layer of the 2D perovskite often undergoes specific distortions such as lead−halide bond length elongation/compression and lead atom displacement. The resultant distortion manifests as a quadrilateral shape formed by Pb atoms from four adjacent four octahedrons. The degree of distortion increases as the quadrilateral deviates further from a square shape and vice versa. This quadrilateral shape not only visually represents the magnitude of distortion but also confirms its direction. During the transition from kite to square distortion under external stimuli, the positions of the Pb atoms vividly illustrate the symmetry-breaking process, corresponding to a shift from high to low symmetry states. The electrical and optoelectronic properties, including ferroelectricity, pyroelectricity, piezoelectricity, nonlinear optical properties, and characteristics related to bulky photovoltaic effects, some of them exhibit direction dependence nature. This perspective employed a visible structural distortion approach to elucidate symmetry breaking and coupling distortion transitions with eight optoelectronic physical properties in 2D layered perovskite. We review recent research advancements and outline current challenges that help us to understand the structure−property relationship of 2D perovskite.