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arXiv · 2305.11721

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·Da-Wei Fu
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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 BaTiO$_3$, their ferroelectric key properties, including large spontaneous polarization ($P_s$), low coercive field ($E_c$), and strong second harmonic generation (SHG) response, have long been great challenges, which hinder their commercial applications. Here, a quasi-one-dimensional OIHP DMAGeI$_3$ (DMA=Dimethylamine) is reported, with notable ferroelectric attributes at room temperature: a large $P_s$ of 24.14 $\mu$C/cm$^2$ (on a par with BaTiO$_3$), a low $E_c$ below 2.2 kV/cm, and the strongest SHG intensity in OIHP family (about 12 times of KH$_2$PO$_4$ (KDP)). Revealed by the first-principles calculations, its large $P_s$ originates from the synergistic effects of the stereochemically active $4s^2$ lone pair of Ge$^{2+}$ and the ordering of organic cations, and its low kinetic energy barrier of small DMA cations results in a low $E_c$. Our work brings the comprehensive ferroelectric performances of OIHPs to a comparable level with commercial inorganic ferroelectric perovskites.

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Kun Ding, Haoshen Ye, Changyuan Su, Yu-An Xiong, Guowei Du, Yu-Meng You, Zhi-Xu Zhang, Shuai Dong, Yi Zhang, Da-Wei Fu. 2023-05-19. Superior ferroelectricity and nonlinear optical response in a hybrid germanium iodide hexagonal perovskite. https://doi.org/10.1038/s41467-023-38590-7

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