Issue 8, 2020

Origin of pressure-induced band gap tuning in tin halide perovskites

Abstract

Structural and optical high-pressure study of FASnBr3 (FA = formamidinium) revealed a cubic to orthorhombic phase transition near 1.4 GPa accompanied by a huge band gap red-shift from 2.4 to 1.6 eV, which is followed by a blue-shift of ∼0.2 eV upon further pressure increase. DFT calculations indicate that the variation in band gap is related to changes in Sn–Br bond length alternation, with an equalization of such difference predicted at high pressure. Extending the calculations to analogous lead-free systems provides a unifying mechanistic picture of pressure-induced band gap tuning in tin halide perovskites, which is correlated to the variation of specific structural parameters. These results represent a solid guide to predict and modulate the pressure-response of metal halide perovskites based on the knowledge of their structural properties at ambient pressure.

Graphical abstract: Origin of pressure-induced band gap tuning in tin halide perovskites

  • This article is part of the themed collection: Perovskites

Supplementary files

Article information

Article type
Paper
Submitted
23 Way 2020
Accepted
03 Dit 2020
First published
06 Dit 2020
This article is Open Access
Creative Commons BY-NC license

Mater. Adv., 2020,1, 2840-2845

Origin of pressure-induced band gap tuning in tin halide perovskites

M. Coduri, T. B. Shiell, T. A. Strobel, A. Mahata, F. Cova, E. Mosconi, F. De Angelis and L. Malavasi, Mater. Adv., 2020, 1, 2840 DOI: 10.1039/D0MA00731E

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