High Pressure Structural and Optical Properties of Two-Dimensional Hybrid Halide Perovskite (CH3NH3)3Bi2Br9

Qian Li; Lixiao Yin; Zhongwei Chen; Kerong Deng; Shuiping Luo; Bo Zou; Zhongwu Wang; Jiang Tang; Zewei Quan

doi:10.1021/acs.inorgchem.8b03190

High Pressure Structural and Optical Properties of Two-Dimensional Hybrid Halide Perovskite (CH₃NH₃)₃Bi₂Br₉

Inorg Chem. 2019 Jan 22;58(2):1621-1626. doi: 10.1021/acs.inorgchem.8b03190. Epub 2019 Jan 3.

Authors

Qian Li^{1

2}, Lixiao Yin³, Zhongwei Chen¹, Kerong Deng¹, Shuiping Luo¹, Bo Zou⁴, Zhongwu Wang⁵, Jiang Tang³, Zewei Quan¹

Affiliations

¹ Department of Chemistry , Southern University of Science and Technology (SUSTech) , Shenzhen , Guangdong 518055 , P. R. China.
² SUSTech Academy for Advanced Interdisciplinary Studies , Southern University of Science and Technology , Shenzhen , Guangdong 518055 , P. R. China.
³ Wuhan National Laboratory for Optoelectronics (WNLO) and School of Optical and Electronic Information , Huazhong University of Science and Technology (HUST) , Wuhan 430074 , P. R. China.
⁴ State Key Laboratory of Superhard Materials, College of Physics , Jilin University , Changchun 130012 , P. R. China.
⁵ Cornell High Energy Synchrotron Source , Cornell University , Ithaca , New York 14853 , United States.

PMID: 30604960
DOI: 10.1021/acs.inorgchem.8b03190

Abstract

Two-dimensional (2D) hybrid halide perovskite is emerging as the next generation of photoelectronic materials. Herein, a typical 2D halide perovskite of MA₃Bi₂Br₉ (MA = CH₃NH₃) is chosen for high pressure research to explore the distinct structural and property characteristics of the inorganic and organic compositions therein. Upon compression above 4.3 GPa, the distortion and tilting of inorganic BiBr₆ octahedra dominate the phase transition of MA₃Bi₂Br₉ from trigonal to monoclinic. Meanwhile, exceptionally anisotropic compressibilities are observed between intra- and interlayer structures, which originate from the unique geometry of puckered layer. In addition, the presence of organic MA⁺ cations contributes to the flexible structural nature of MA₃Bi₂Br₉. Meanwhile, the geometrical changes of inorganic components determine the relationships between structure and band gap under pressure. This work not only demonstrates the intriguing structure nature of MA₃Bi₂Br₉ but also reveals the individual contributions on the structure-property diagram from inorganic (BiBr₆ octahedra) and organic (MA cations) components.