Exploring Temperature- and Pressure-Dependent Elastic Properties of Halide Perovskites and Elpasolites
Loreta Muscarella a, Huygen J. Jöbsis b, Bettina Baumgartner b, P. Tim Prins b, D. Nicolette Maaskant b, Andrei V. Petukhov b, Dmitry Chernyshov c, Charles J McMonagle c, Eline M. Hutter b
a Department of Physics and Astronomy, Faculty of Sciences, Vrije Universiteit Amsterdam
b Utrecht University, Inorganic Chemistry and Catalysis, Debye Institute for Nanomaterials Science, Netherlands
c ESRF, The European Synchrotron, 71 Avenue des Martyrs, CS40220, 38043 Grenoble Cedex 9, France
International Conference on Hybrid and Organic Photovoltaics
Proceedings of International Conference on Hybrid and Organic Photovoltaics (HOPV24)
València, Spain, 2024 May 12th - 15th
Organizer: Bruno Ehrler
Oral, Loreta Muscarella, presentation 173
DOI: https://doi.org/10.29363/nanoge.hopv.2024.173
Publication date: 6th February 2024

Halide perovskites and elpasolites are key for optoelectronic applications due to their exceptional performance and adaptability. However, understanding their crucial elastic properties for synthesis and device operation remains limited. We performed temperature- and pressure-dependent synchrotron-based powder X-ray diffraction at low pressures (ambient to 0.06 GPa) to investigate their elastic properties in their ambient-pressure crystal structure. We found common trends in bulk modulus and thermal expansivity, with an increased halide ionic radius (Cl to Br to I) resulting in greater softness, higher compressibility and thermal expansivity in both class of materials. For non-cubic systems, in which the elastic properties are anisotropic, we obtained axis-dependent compressibility. The A cation has a minor effect, and mixed-halide compositions show intermediate properties. Notably, thermal phase transitions in MAPbI3 and CsPbCl3 induced lattice softening and negative expansivity for specific crystal axes, even at temperatures far from the transition point. These results emphasize the significance of considering temperature-dependent elastic properties, which can significantly impact device stability and performance during manufacturing or temperature sweeps.

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