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Origin of pressure-induced band gap tuning in tin halide perovskites
M. Coduri, T.B. Shiell, T.A. Strobel, , F. Cova, E. Mosconi, F. De Angelis, L. Malavasi
Published in Royal Society of Chemistry
2020
Volume: 1
   
Issue: 8
Pages: 2840 - 2845
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. This journal is © The Royal Society of Chemistry.
About the journal
JournalData powered by TypesetMaterials Advances
PublisherData powered by TypesetRoyal Society of Chemistry
ISSN26335409