Data Publication

Which Ion Dominates Temperature and Pressure Response of Halide Perovskites and Elpasolites?

Loreta A. Muscarella | Huygen J. Jöbsis

Utrecht University

(2023)

Descriptions

Halide perovskite and elpasolite semiconductors are extensively studied for optoelectronic applications due to their excellent performance together with significant chemical and structural flexibility. However, there is still limited understanding of how their basic elastic properties vary with crystal orientation, composition and temperature, which is relevant for synthesis and device operation. To address this, we performed temperature- and pressure-dependent synchrotron-based powder X-ray diffraction (XRD). In contrast to previous pressure-dependent XRD studies, our relatively low pressures (ambient to 0.06 GPa) enabled us to investigate the elastic properties of halide perovskites and elpasolites in their ambient crystal structure. We find that halide perovskites and elpasolites show common trends in the bulk modulus and thermal expansivity. Both materials become softer as the halide ionic radius increases from Cl to Br to I, exhibiting higher compressibility and larger thermal expansivity. The mixed-halide compositions show intermediate properties to the pure compounds. Contrary, cations show a minor effect on the elastic properties. Finally, we observe that thermal phase transitions in e.g., MAPbI3 and CsPbCl3 lead to a softening of the lattice, together with negative expansivity for certain crystal axes, already tens of degrees away from the transition temperature. Hence, the range in which the phase transition affects thermal and elastic properties is substantially broader than previously thought. These findings highlight the importance of considering the temperature-dependent elastic properties of these materials, since stress induced during manufacturing or temperature sweeps can significantly impact the stability and performance of the corresponding devices.

Keywords

Originally assigned keywords

Natural Sciences - Chemical sciences (1.4)

Muscarella-Jöbsis, LA-HJ, JPCL, 2023

MSL enriched keywords

minerals

oxide mineral

perovskite

Measured property

elasticity

bulk modulus

axial compressibility

bulk compressibility

Inferred deformation behavior

deformation behaviour

poroelastic deformation

Measured property

elasticity

bulk modulus

Technique

imaging (3D)

computed tomography (CT)

X-ray diffraction

MSL enriched sub domains i

rock and melt physics

analogue modelling of geologic processes

microscopy and tomography

Source

https://public.yoda.uu.nl/science/UU01/W60H58.html

Source publisher

Utrecht University

DOI

10.24416/uu01-w60h58

Creators

Loreta A. Muscarella

Utrecht University

ORCID:

https://orcid.org/0000-0002-0559-4085

Huygen J. Jöbsis

Utrecht University

ORCID:

https://orcid.org/0000-0002-7417-1246

Contributors

Baumgartner, Bettina

DataCollector

Utrecht University

ORCID:

https://orcid.org/0000-0002-9136-6811

Prins, P. Tim

DataCollector

Utrecht University

ORCID:

https://orcid.org/0000-0002-8258-0074

Maaskant, D. Nicolette

DataCollector

Utrecht University

ORCID:

https://orcid.org/0000-0001-5979-4296

Petukhov, Andrei V.

ProjectMember

Utrecht University

ORCID:

https://orcid.org/0000-0001-9840-6014

Chernyshov, Dmitry

HostingInstitution

SNBL at European Synchrotron Radiation Facility (ESRF)

ORCID:

https://orcid.org/0000-0001-7738-9358

McMonagle, Charles J.

HostingInstitution

SNBL at European Synchrotron Radiation Facility (ESRF)

Hutter, Eline M.

ProjectLeader

Utrecht University

ORCID:

https://orcid.org/0000-0002-5537-6545

References

2307.16621

Citation

Muscarella, L. A., & Jöbsis, H. J. (2023). Which Ion Dominates Temperature and Pressure Response of Halide Perovskites and Elpasolites? (Version 1.0) [Data set]. Utrecht University. https://doi.org/10.24416/UU01-W60H58

Dates

Updated:

2024-07-09T09:04:09

Language

en

Funding References

Funder name: NWO

Funder name: Austrian Science Fund (FWF)

Funder name: Swiss-Norwegian beamline, BM01, at European Synchrotron Radiation Facility (ESRF)

Rights

Restricted - available upon request

Creative Commons Attribution 4.0 International Public License

Datacite version

1.0