Superior ferroelectricity and nonlinear optical response in a hybrid germanium iodide hexagonal perovskite

Kun Ding, Haoshen Ye, Changyuan Su, Yu-An Xiong, Guowei Du, Yu-Meng You, Zhi-Xu Zhang (), Shuai Dong (), Yi Zhang () and Da-Wei Fu ()
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Kun Ding: Southeast University
Haoshen Ye: Southeast University
Changyuan Su: Southeast University
Yu-An Xiong: Southeast University
Guowei Du: Southeast University
Yu-Meng You: Southeast University
Zhi-Xu Zhang: Southeast University
Shuai Dong: Southeast University
Yi Zhang: Zhejiang Normal University
Da-Wei Fu: Zhejiang Normal University

Nature Communications, 2023, vol. 14, issue 1, 1-8

Abstract: Abstract Abundant chemical diversity and structural tunability make organic–inorganic hybrid perovskites (OIHPs) a rich ore for ferroelectrics. However, compared with their inorganic counterparts such as BaTiO3, their ferroelectric key properties, including large spontaneous polarization (Ps), low coercive field (Ec), and strong second harmonic generation (SHG) response, have long been great challenges, which hinder their commercial applications. Here, a quasi-one-dimensional OIHP DMAGeI3 (DMA = Dimethylamine) is reported, with notable ferroelectric attributes at room temperature: a large Ps of 24.14 μC/cm2 (on a par with BaTiO3), a low Ec below 2.2 kV/cm, and the strongest SHG intensity in OIHP family (about 12 times of KH2PO4 (KDP)). Revealed by the first-principles calculations, its large Ps originates from the synergistic effects of the stereochemically active 4s2 lone pair of Ge2+ and the ordering of organic cations, and its low kinetic energy barrier of small DMA cations results in a low Ec. Our work brings the comprehensive ferroelectric performances of OIHPs to a comparable level with commercial inorganic ferroelectric perovskites.

Date: 2023
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DOI: 10.1038/s41467-023-38590-7

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