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Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals.

Guy ReuveniYael Diskin-PosnerChristian GehrmannShravan GodseGiannis G GkikasIsaac BuchineSigalit AharonRoman KorobkoConstantinos C StoumposDavid R ReichmanOmer Yaffe
Published in: The journal of physical chemistry letters (2023)
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.
Keyphrases
  • crystal structure
  • room temperature
  • density functional theory
  • high resolution
  • perovskite solar cells
  • raman spectroscopy
  • magnetic resonance imaging
  • ionic liquid
  • magnetic resonance
  • fluorescent probe