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Proceedings Paper

The nature of dynamic disorder in lead halide perovskite crystals (Conference Presentation)
Author(s): Omer Yaffe; Yinsheng Guo; Trevor Hull; Costas Stoumpos; Liang Z. Tan; David A. Egger; Fan Zheng; Guilherme Szpak; Octavi E. Semonin; Alexander N. Beecher; Tony F. Heinz; Leeor Kronik; Andrew M. Rappe; Mercouri G. Kanatzidis; Jonathan S. Owen; Marcos A. Pimenta; Louis E. Brus

Paper Abstract

We combine low frequency Raman scattering measurements with first-principles molecular dynamics (MD) to study the nature of dynamic disorder in hybrid lead-halide perovskite crystals. We conduct a comparative study between a hybrid (CH3NH3PbBr3) and an all-inorganic lead-halide perovskite (CsPbBr3). Both are of the general ABX3 perovskite formula, and have a similar band gap and structural phase sequence, orthorhombic at low temperature, changing first to tetragonal and then to cubic symmetry as temperature increases. In the high temperature phases, we find that both compounds show a pronounced Raman quasi-elastic central peak, indicating that both are dynamically disordered.

Paper Details

Date Published: 11 November 2016
PDF: 1 pages
Proc. SPIE 9923, Physical Chemistry of Interfaces and Nanomaterials XV, 99231B (11 November 2016); doi: 10.1117/12.2236330
Show Author Affiliations
Omer Yaffe, Columbia Univ. (United States)
Technion-Israel Institute of Technology (Israel)
Yinsheng Guo, Columbia Univ. (United States)
Trevor Hull, Columbia Univ. (United States)
Costas Stoumpos, Argonne National Lab. (United States)
Liang Z. Tan, Univ. of Pennsylvania (United States)
David A. Egger, Weizmann Institute of Science (Israel)
Fan Zheng, Univ. of Pennsylvania (United States)
Guilherme Szpak, Columbia Univ. (United States)
Octavi E. Semonin, Columbia Univ. (United States)
Alexander N. Beecher, Columbia Univ. (United States)
Tony F. Heinz, Stanford Univ. (United States)
Leeor Kronik, Weizmann Institute of Science (Israel)
Andrew M. Rappe, Univ. of Pennsylvania (United States)
Mercouri G. Kanatzidis, Northwestern Univ. (United States)
Argonne National Lab. (United States)
Jonathan S. Owen, Columbia Univ. (United States)
Marcos A. Pimenta, Univ. Federal de Minas Gerais (United States)
Columbia Univ. (Brazil)
Louis E. Brus, Columbia Univ. (United States)

Published in SPIE Proceedings Vol. 9923:
Physical Chemistry of Interfaces and Nanomaterials XV
Artem A. Bakulin; Robert Lovrincic; Natalie Banerji, Editor(s)

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