Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/85631
Title: New metallic ordered phase of perovskite CsPbI3 under pressure
Authors: Liang, Yongfu
Huang, Xiaoli
Huang, Yanping
Wang, Xin
Li, Fangfei
Wang, Youchun
Tian, Fubo
Liu, Bingbing
Shen, Ze Xiang
Cui, Tian
Keywords: Electronic Structure
High Pressure
Science::Physics
Issue Date: 2019
Source: Liang, Y., Huang, X., Huang, Y., Wang, X., Li, F., Wang, Y., . . . Cui, T. (2019). New metallic ordered phase of perovskite CsPbI3 under pressure. Advanced Science, 6(14), 1900399-. doi:10.1002/advs.201900399
Series/Report no.: Advanced Science
Abstract: Pressure‐induced electronic structure transition from insulating phase to metal state is a potential new paradigm for halide perovskites. The metallization based on these materials may afford a novel motif toward realizing new electronic properties even superconductivity phenomenon. Herein, how static compression modulates the crystal and electronic structure of typical perovskite semiconductors cesium lead iodine (CsPbI3) by both experimental and theoretical studies is reported. The comprehensive studies discover the insulator–metal transition of CsPbI3 at 39.3 GPa, and reveal the key information behind the electronic transition. The perovskite's precise structural evolution is tracked upon compression, from orthorhombic Pnma phase to monoclinic C2/m structure before the metallic transition. More interestingly, the C2/m phase has the most distorted octahedra and the shortest Pb–I bond length relative to the average bond length that is ever reported in a halide perovskite structure. The electronic transition stems from the structural changes accompanied by the anomalously self‐distorted octahedra. These studies show that pressure can significantly alter the structural and electronic properties of these technologically important perovskites.
URI: https://hdl.handle.net/10356/85631
http://hdl.handle.net/10220/49824
DOI: http://dx.doi.org/10.1002/advs.201900399
Rights: © 2019 The Authors. Published by WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
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