Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals

Guy Reuveni; Yael Diskin-Posner; Christian Gehrmann; Shravan Godse; Giannis G. Gkikas; Isaac Buchine; Sigalit Aharon; Roman Korobko; Constantinos C. Stoumpos; David A. Egger; Omer Yaffe

doi:10.1021/acs.jpclett.2c03337

Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals

Guy Reuveni, Yael Diskin-Posner, Christian Gehrmann, Shravan Godse, Giannis G. Gkikas, Isaac Buchine, Sigalit Aharon, Roman Korobko, Constantinos C. Stoumpos, David A. Egger, Omer Yaffe^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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Abstract

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.

Original language	English
Pages (from-to)	1288-1293
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	14
Issue number	5
DOIs	https://doi.org/10.1021/acs.jpclett.2c03337
Publication status	Published - 9 Feb 2023

Funding

The authors thank David Cahen for fruitful discussions and Lior Segev for software development. G.R. acknowledges the support of the Weizmann Institute Sustainability and Energy Research Initiative. O.Y. acknowledges funding from European Research Council (850041 - ANHARMONIC). D.A.E. acknowledges funding from the Alexander von Humboldt Foundation within the framework of the Sofja Kovalevskaja Award, the Technical University of Munich - Institute for Advanced Study (Grant Agreement 291763), and the Deutsche Forschungsgemeinschaft (EXC 2089/1-390776260).

All Science Journal Classification (ASJC) codes

General Materials Science
Physical and Theoretical Chemistry

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title = "Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals",

abstract = "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.",

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AU - Reuveni, Guy

AU - Diskin-Posner, Yael

AU - Gehrmann, Christian

AU - Godse, Shravan

AU - Gkikas, Giannis G.

AU - Buchine, Isaac

AU - Aharon, Sigalit

AU - Korobko, Roman

AU - Stoumpos, Constantinos C.

AU - Egger, David A.

AU - Yaffe, Omer

PY - 2023/2/9

Y1 - 2023/2/9

N2 - 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.

AB - 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.

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JO - Journal of Physical Chemistry Letters

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IS - 5

ER -

Static and Dynamic Disorder in Formamidinium Lead Bromide Single Crystals

Abstract

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