New metallic ordered phase of perovskite CsPbI3 under pressure

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 stat...

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Main Authors: Liang, Yongfu, Huang, Xiaoli, Huang, Yanping, Wang, Xin, Li, Fangfei, Wang, Youchun, Tian, Fubo, Liu, Bingbing, Shen, Ze Xiang, Cui, Tian
Other Authors: School of Physical and Mathematical Sciences
Format: Article
Language:English
Published: 2019
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Online Access:https://hdl.handle.net/10356/85631
http://hdl.handle.net/10220/49824
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Institution: Nanyang Technological University
Language: English
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spelling sg-ntu-dr.10356-856312023-02-28T19:33:08Z New metallic ordered phase of perovskite CsPbI3 under pressure Liang, Yongfu Huang, Xiaoli Huang, Yanping Wang, Xin Li, Fangfei Wang, Youchun Tian, Fubo Liu, Bingbing Shen, Ze Xiang Cui, Tian School of Physical and Mathematical Sciences The Photonics Institute Centre for Disruptive Photonic Technologies (CDPT) Electronic Structure High Pressure Science::Physics 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. Published version 2019-08-30T07:08:54Z 2019-12-06T16:07:24Z 2019-08-30T07:08:54Z 2019-12-06T16:07:24Z 2019 Journal Article 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 https://hdl.handle.net/10356/85631 http://hdl.handle.net/10220/49824 10.1002/advs.201900399 en Advanced Science © 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. 8 p. application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Electronic Structure
High Pressure
Science::Physics
spellingShingle Electronic Structure
High Pressure
Science::Physics
Liang, Yongfu
Huang, Xiaoli
Huang, Yanping
Wang, Xin
Li, Fangfei
Wang, Youchun
Tian, Fubo
Liu, Bingbing
Shen, Ze Xiang
Cui, Tian
New metallic ordered phase of perovskite CsPbI3 under pressure
description 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.
author2 School of Physical and Mathematical Sciences
author_facet School of Physical and Mathematical Sciences
Liang, Yongfu
Huang, Xiaoli
Huang, Yanping
Wang, Xin
Li, Fangfei
Wang, Youchun
Tian, Fubo
Liu, Bingbing
Shen, Ze Xiang
Cui, Tian
format Article
author Liang, Yongfu
Huang, Xiaoli
Huang, Yanping
Wang, Xin
Li, Fangfei
Wang, Youchun
Tian, Fubo
Liu, Bingbing
Shen, Ze Xiang
Cui, Tian
author_sort Liang, Yongfu
title New metallic ordered phase of perovskite CsPbI3 under pressure
title_short New metallic ordered phase of perovskite CsPbI3 under pressure
title_full New metallic ordered phase of perovskite CsPbI3 under pressure
title_fullStr New metallic ordered phase of perovskite CsPbI3 under pressure
title_full_unstemmed New metallic ordered phase of perovskite CsPbI3 under pressure
title_sort new metallic ordered phase of perovskite cspbi3 under pressure
publishDate 2019
url https://hdl.handle.net/10356/85631
http://hdl.handle.net/10220/49824
_version_ 1759857692901376000