Lattice dynamics and the nature of structural transitions in organolead halide perovskites

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; Herron, Norman; Guise, William E.; Wang, Xiaoping; Whitfield, Pamela S.; Jain, Ankit; Gong, Xiwen; McGaughey, Alan J.  H.; Sargent, Edward H.

doi:10.1103/PhysRevB.94.094301

Title: Lattice dynamics and the nature of structural transitions in organolead halide perovskites

Journal Article · Fri Sep 09 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.094301· OSTI ID:1340303

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; Herron, Norman; Guise, William E.; Wang, Xiaoping; Whitfield, Pamela S.; Jain, Ankit; Gong, Xiwen; McGaughey, Alan J. H.; Sargent, Edward H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remarkable optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic x-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our findings confirm the displacive nature of the cubic-to-tetragonal phase transition, which is further shown, using neutron and x-ray diffraction, to be close to a tricritical point. Lastly, we detect quasistatic symmetry-breaking nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These findings reveal key structural properties of these materials, and also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Natural Sciences and Engineering Research Council of Canada (NSERC)

DOE Contract Number:: AC02-06CH11357

OSTI ID:: 1340303

Journal Information:: Physical Review B, Vol. 94, Issue 9; ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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Structural Evolution During Perovskite Crystal Formation and Degradation: In Situ and Operando X‐Ray Diffraction Studies Mundt, Laura E.; Schelhas, Laura T. Advanced Energy Materials https://doi.org/10.1002/aenm.201903074	journal	November 2019
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Hot carrier cooling mechanisms in halide perovskites Fu, Jianhui; Xu, Qiang; Han, Guifang Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01360-3	journal	November 2017
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Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites Yang, Ruo Xi; Skelton, Jonathan M.; da Silva, Estelina L. The Journal of Chemical Physics, Vol. 152, Issue 2 https://doi.org/10.1063/1.5131575	journal	January 2020
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