ja0c00375_si_003.cif (229.23 kB)
A Three-Dimensional Lead Halide Perovskite-Related Ferroelectric
dataset
posted on 2020-02-25, 21:47 authored by Han-Yue Zhang, Xian-Jiang Song, Hao Cheng, Yu-Ling Zeng, Yi Zhang, Peng-Fei Li, Wei-Qiang Liao, Ren-Gen XiongThree-dimensional
(3D) organic–inorganic lead halides represented
by [CH3NH3]PbI3 perovskite have attracted
great interest for their diverse functional properties and promising
optoelectronic applications. However, 3D lead halides are still very
rare and their ferroelectricity remains controversial. Here, we report
an unprecedented 3D lead halide perovskite-related ferroelectric [2-trimethylammonioethylammonium]Pb2Cl6 ([TMAEA]Pb2Cl6), which
contains a 3D lead chloride framework of corner- and edge-sharing
PbCl6 octahedral, with the [TMAEA]+ cations
occupying the voids of the framework. [TMAEA]Pb2Cl6 shows a ferroelectric-to-paraelectric phase transition with
the Curie temperature as high as 412 K, a typical ferroelectric hysteresis
loop at 293 K with a spontaneous polarization of 1 μC/cm2, and a clear ferroelectric domain switching. To the best
of our knowledge, [TMAEA]Pb2Cl6 is the first
3D lead halide showing such an excellent ferroelectricity. Additionally,
it also exhibits a semiconducting property with a direct band gap
of 3.43 eV. This finding enriches the family of 3D hybrid lead halides
and inspires the exploration of 3D lead halide ferroelectrics.