Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals

We show that formamidinium-based crystals are distinct from methylammonium-based halide perovskite crystals because their inorganic sublattice exhibits intrinsic local static disorder that coexists with a well-defined average crystal structure. Our study combines terahertz-range Raman scattering wit...

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Veröffentlicht in:The journal of physical chemistry letters 2023-02, Vol.14 (5), p.1288-1293
Hauptverfasser: Reuveni, Guy, Diskin-Posner, Yael, Gehrmann, Christian, Godse, Shravan, Gkikas, Giannis G., Buchine, Isaac, Aharon, Sigalit, Korobko, Roman, Stoumpos, Constantinos C., Egger, David A., Yaffe, Omer
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Sprache:eng
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Zusammenfassung:We show that formamidinium-based crystals are distinct from methylammonium-based halide perovskite crystals because their inorganic sublattice exhibits intrinsic local static disorder that coexists with a well-defined average crystal structure. Our study combines terahertz-range Raman scattering with single-crystal X-ray diffraction and first-principles calculations to probe the evolution of inorganic sublattice dynamics with temperature in the range of 10–300 K. The temperature evolution of the Raman spectra shows that low-temperature, local static disorder strongly affects the crystal structural dynamics and phase transitions at higher temperatures.
ISSN:1948-7185
1948-7185
DOI:10.1021/acs.jpclett.2c03337