Strain–Chemical Gradient and Polarization in Metal Halide Perovskites

Liu, Yongtao; Ievlev, Anton V.; Collins, Liam; Belianinov, Alex; Keum, Jong K.; Ahmadi, Mahshid; Jesse, Stephen; Retterer, Scott T.; Xiao, Kai; Huang, Jingsong; Sumpter, Bobby G.; Kalinin, Sergei V.; Hu, Bin; Ovchinnikova, Olga S.

doi:10.1002/aelm.201901235

Title: Strain–Chemical Gradient and Polarization in Metal Halide Perovskites

Journal Article · 26 January 2020 · Advanced Electronic Materials

DOI: https://doi.org/10.1002/aelm.201901235 · OSTI ID:1615225

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS); Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS) and Neutron Scattering Division
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS) and Computational Sciences & Engineering Division

Metal halide perovskites (MHPs) have attracted broad research interest due to their outstanding optoelectronic performance. This performance has been attributed in part to the presence of polarization in these materials. However, the precise effects of chemical environment and strain condition on the polar states in MHPs have largely been missing. Herein it is revealed for the first time that chemical gradient is directly coupled with strain gradient in CH₃NH₃PbI₃. This strain–chemical gradient induces an electric polarization that can potentially affect charge carrier dynamics. Furthermore, it is unveiled that this electric polarization—unlike ferroelectricity that only exists in noncentrosymmetric materials—can be present in both tetragonal and cubic phases of CH₃NH₃PbI₃. This suggests that the strain–chemical gradient induced polarization is a more convincing explanation of the outstanding photovoltaic properties of MHPs than the hotly debated ferroelectric polarization. Finally, a mechanism of how this polarization impacts photovoltaic action is proposed, which offers insightful advances in the development of MHPs.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)

Sponsoring Organization:: USDOE Office of Science (SC); US Air Force Office of Scientific Research (AFOSR); Asian Office of Aerospace Research and Development (AOARD); National Science Foundation (NSF); University of Tennessee Higher Education Commission

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1615225

Journal Information:: Advanced Electronic Materials, Journal Name: Advanced Electronic Materials Journal Issue: 4 Vol. 6; ISSN 2199-160X

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
charge dissociation
chemical gradients
metal halide perovskites
polarization strain gradients

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