Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells

Arthur Marronnier, Guido Roma, Soline Boyer-Richard, Laurent Pedesseau, Jean Marc Jancu, Van Bonnassieux, Claudine Katan, Constantinos C. Stoumpos, Mercouri G. Kanatzidis, Jacky Even

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Hybrid perovskite materials have emerged over the past five years as absorber layers for new high-efficiency yet low-cost solar cells (PSCs) that combine the advantages of organic and inorganic semiconductors. Here, employing the linear response (DFPT) approach of Density Functional Theory (DFT) and frozen phonon calculations, we reveal strong anharmonic effects in the inorganic CsPbI3 perovskite. We also show through high resolution in-situ synchrotron XRD measurements that CsPbI3 can be undercooled below its transition temperature and temporarily maintained in its perovskite structure down to room temperature, stabilizing a metastable perovskite polytype (black γ-phase) crucial for photovoltaic applications. Among the four phases of CsPbI3, we found that this phase is the only one to behave harmonically around equilibrium. Last, we explain the Rashba effect in these materials as a consequence of the symmetry breaking induced by the double-well instabilities.

Original languageEnglish (US)
Title of host publication2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC
PublisherInstitute of Electrical and Electronics Engineers Inc.
Pages1715-1717
Number of pages3
ISBN (Electronic)9781538685297
DOIs
StatePublished - Nov 26 2018
Event7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - Waikoloa Village, United States
Duration: Jun 10 2018Jun 15 2018

Publication series

Name2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC

Other

Other7th IEEE World Conference on Photovoltaic Energy Conversion, WCPEC 2018
CountryUnited States
CityWaikoloa Village
Period6/10/186/15/18

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Renewable Energy, Sustainability and the Environment
  • Electrical and Electronic Engineering
  • Electronic, Optical and Magnetic Materials

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    Marronnier, A., Roma, G., Boyer-Richard, S., Pedesseau, L., Jancu, J. M., Bonnassieux, V., Katan, C., Stoumpos, C. C., Kanatzidis, M. G., & Even, J. (2018). Anharmonicity and Disorder in the Black Phases of CsPbI3 used for Stable Inorganic Perovskite Solar Cells. In 2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC (pp. 1715-1717). [8547769] (2018 IEEE 7th World Conference on Photovoltaic Energy Conversion, WCPEC 2018 - A Joint Conference of 45th IEEE PVSC, 28th PVSEC and 34th EU PVSEC). Institute of Electrical and Electronics Engineers Inc.. https://doi.org/10.1109/PVSC.2018.8547769