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Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal
Shijing Sun1, Zeyu Deng, Yue Wu
1Department of Materials Science and Metallurgy, University of Cambridge Cambridge, CB3 0FS, UK. akc30@cam.ac.uk.
Abstract:
We investigate the variable temperature (100-450 K) and high-pressure (p = ambient - 0.74 GPa) crystal chemistry of the black perovskite formamidinium lead iodide, [(NH2)2CH]PbI3, using single crystal X-ray diffraction. In both cases we find a phase transition to a tetragonal phase. Our experimental results are combined with first principles calculations, providing information about the electronic properties of [(NH2)2CH]PbI3 as well as the most probable orientation of the [(NH2)2CH]+ cations.
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