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Updated: Feb 2, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Halogen substitution effects on optical and electrical properties in 3D molecular perovskites
Meng-Meng Zhao1, Lin Zhou, Ping-Ping Shi
1Ordered Matter Science Research Center, Jiangsu Key Laboratory for Science and Applications of Molecular Ferroelectrics, Southeast University, Nanjing 211189, People's Republic of China. yeqiong@seu.edu.cn dawei@seu.edu.cn.
Abstract:
Both 3D organic-inorganic perovskites ([Et3P(CH2)2Cl][Cd(dca)3] (1) and [Et3P(CH2)2F][Cd(dca)3] (2) [dca = dicyanamide, N(CN)2-]) display two sequentially reversible high-temperature phase transitions and switchable dielectric properties. Through halogen substitution, 1 shows exceptional switching behaviour of second harmonic generation effects and remarkably 2 represents the first above-room-temperature 3D ferroelastic material characterized by two ferroelastic phases.
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