Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation

Miyata, Kiyoshi; Atallah, Timothy L.; Zhu, X. -Y.

doi:10.1126/sciadv.1701469

Title: Lead halide perovskites: Crystal-liquid duality, phonon glass electron crystals, and large polaron formation

Journal Article · 13 October 2017 · Science Advances

DOI: https://doi.org/10.1126/sciadv.1701469 · OSTI ID:1499930

^[1]; Atallah, Timothy L. ^[1];

^[1]

Columbia Univ., New York, NY (United States)

Lead halide perovskites have been demonstrated as high performance materials in solar cells and light-emitting devices. These materials are characterized by coherent band transport expected from crystalline semiconductors, but dielectric responses and phonon dynamics typical of liquids. This “crystal-liquid” duality implies that lead halide perovskites belong to phonon glass electron crystals, a class of materials believed to make the most efficient thermoelectrics. We show that the crystal-liquid duality and the resulting dielectric response are responsible for large polaron formation and screening of charge carriers, leading to defect tolerance, moderate charge carrier mobility, and radiative recombination properties. Large polaron formation, along with the phonon glass character, may also explain the marked reduction in hot carrier cooling rates in these materials.

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Research Organization:: Columbia Univ., New York, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0010692

OSTI ID:: 1499930

Journal Information:: Science Advances, Vol. 3, Issue 10; ISSN 2375-2548

Publisher:: AAASCopyright Statement

Country of Publication:: United States

Language:: English

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Stable biexcitons in two-dimensional metal-halide perovskites with strong dynamic lattice disorder Thouin, Félix; Neutzner, Stefanie; Cortecchia, Daniele Physical Review Materials, Vol. 2, Issue 3 https://doi.org/10.1103/physrevmaterials.2.034001	journal	March 2018
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How lasing happens in CsPbBr3 perovskite nanowires Schlaus, Andrew P.; Spencer, Michael S.; Miyata, Kiyoshi Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-07972-7	journal	January 2019
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Pb clustering and PbI2 nanofragmentation during methylammonium lead iodide perovskite degradation Alberti, Alessandra; Bongiorno, Corrado; Smecca, Emanuele Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09909-0	journal	May 2019
Pathways toward high-performance inorganic perovskite solar cells: challenges and strategies Li, Bo; Fu, Lin; Li, Shuang Journal of Materials Chemistry A, Vol. 7, Issue 36 https://doi.org/10.1039/c9ta04114a	journal	January 2019
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Unusual electric field-induced optical behaviors in cesium lead bromide perovskites Xia, Siyang; Wang, Ziming; Ren, Yinjuan Applied Physics Letters, Vol. 115, Issue 20 https://doi.org/10.1063/1.5116326	journal	November 2019
Predicting charge transport in the presence of polarons: The beyond-quasiparticle regime in SrTiO 3 Zhou, Jin-Jian; Bernardi, Marco Physical Review Research, Vol. 1, Issue 3 https://doi.org/10.1103/physrevresearch.1.033138	journal	December 2019
Screening of point defects in methylammonium lead halides: a Monte Carlo study Šimėnas, Mantas; Banys, Jūras; Tornau, Evaldas E. Journal of Materials Chemistry C, Vol. 6, Issue 6 https://doi.org/10.1039/c7tc05572b	journal	January 2018
Enhancing ferroelectric photovoltaic effect by polar order engineering You, Lu; Zheng, Fan; Fang, Liang Science Advances, Vol. 4, Issue 7 https://doi.org/10.1126/sciadv.aat3438	journal	July 2018
Methodologies toward Efficient and Stable Cesium Lead Halide Perovskite-Based Solar Cells Nam, Jae Keun; Chun, Do Hyung; Rhee, Ryan Joon Kyu Advanced Science, Vol. 5, Issue 8 https://doi.org/10.1002/advs.201800509	journal	June 2018
Two-dimensional electronic spectroscopy reveals liquid-like lineshape dynamics in CsPbI3 perovskite nanocrystals Seiler, Hélène; Palato, Samuel; Sonnichsen, Colin Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12830-1	journal	October 2019
The ground exciton state of formamidinium lead bromide perovskite nanocrystals is a singlet dark state Tamarat, Philippe; Bodnarchuk, Maryna I.; Trebbia, Jean-Baptiste Nature Materials, Vol. 18, Issue 7 https://doi.org/10.1038/s41563-019-0364-x	journal	May 2019
On the absence of a phonon bottleneck in strongly confined CsPbBr ₃ perovskite nanocrystals Li, Yulu; Lai, Runchen; Luo, Xiao Chemical Science, Vol. 10, Issue 23 https://doi.org/10.1039/c9sc01339c	journal	January 2019
Unraveling exciton-phonon coupling in individual FAPbI(3) nanocrystals emitting near-infrared single photons Fu, Ming; Tamarat, Philippe; Trebbia, Jean-Baptiste ETH Zurich https://doi.org/10.3929/ethz-b-000285895	text	January 2018
Quantifying Polaron Formation and Charge Carrier Cooling in Lead-Iodide Perovskites Bretschneider, Simon A.; Ivanov, Ivan; Wang, Hai I. Advanced Materials, Vol. 30, Issue 29 https://doi.org/10.1002/adma.201707312	journal	May 2018
Large (bi)Polarons for Novel Energy Conversion and Superconductivity Emin, David Journal of Superconductivity and Novel Magnetism, Vol. 33, Issue 1 https://doi.org/10.1007/s10948-019-05299-y	journal	October 2019
Properties and potential optoelectronic applications of lead halide perovskite nanocrystals Kovalenko, Maksym V.; Protesescu, Loredana; Bodnarchuk, Maryna I. Science, Vol. 358, Issue 6364 https://doi.org/10.1126/science.aam7093	journal	November 2017
Exciton-polaron spectral structures in two dimensional hybrid lead-halide perovskites Neutzner, Stefanie; Thouin, Félix; Cortecchia, Daniele arXiv https://doi.org/10.48550/arxiv.1803.02455	text	January 2018
Methodologies toward Efficient and Stable Cesium Lead Halide Perovskite-Based Solar Cells Nam, Jae Keun; Chun, Do Hyung; Rhee, Ryan Joon Kyu Advanced Science, Vol. 5, Issue 8 https://doi.org/10.1002/advs.201800509	journal	June 2018
Incorporating Large A Cations into Lead Iodide Perovskite Cages: Relaxed Goldschmidt Tolerance Factor and Impact on Exciton–Phonon Interaction Fu, Yongping; Hautzinger, Matthew P.; Luo, Ziyu ACS Central Science, Vol. 5, Issue 8 https://doi.org/10.1021/acscentsci.9b00367	journal	July 2019
Designing of Pb(II)-Based Novel Coordination Polymers (CPs): Structural Elucidation and Optoelectronic Application Dey, Sunanda; Sil, Sayantan; Dutta, Basudeb ACS Omega, Vol. 4, Issue 22 https://doi.org/10.1021/acsomega.9b02899	journal	November 2019
Pb clustering and PbI2 nanofragmentation during methylammonium lead iodide perovskite degradation Alberti, Alessandra; Bongiorno, Corrado; Smecca, Emanuele Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-09909-0	journal	May 2019
Enhancing ferroelectric photovoltaic effect by polar order engineering You, Lu; Zheng, Fan; Fang, Liang Science Advances, Vol. 4, Issue 7 https://doi.org/10.1126/sciadv.aat3438	journal	July 2018