Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9

The diversity of halide materials related to important solar energy systems such as CsPbX3 (X = Cl, Br, I) is explored by introducing the transition metal element Fe. In particular a new compound, Cs3Fe2Br9 (space group P63/mmc with a = 7.5427(8) and c = 18.5849(13) Å), has been synthesized and foun...

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Bibliographic Details
Published in:Journal of materials chemistry. C, Materials for optical and electronic devices Materials for optical and electronic devices, 2018, Vol.6 (14), p.3573-3577
Main Authors: Wei, Fengxia, Brivio, Federico, Wu, Yue, Sun, Shijing, Bristowe, Paul D, Cheetham, Anthony K
Format: Article
Language:English
Subjects:
Antiferromagnetism
Cesium
Crystal structure
Density functional theory
Dimers
Iron
Magnetic properties
Solar energy
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Summary:The diversity of halide materials related to important solar energy systems such as CsPbX3 (X = Cl, Br, I) is explored by introducing the transition metal element Fe. In particular a new compound, Cs3Fe2Br9 (space group P63/mmc with a = 7.5427(8) and c = 18.5849(13) Å), has been synthesized and found to contain 0D face-sharing Fe2Br9 octahedral dimers. Unlike its isomorph, Cs3Bi2I9, it is black in color, has a low optical bandgap of 1.65 eV and exhibits antiferromagnetic behavior below TN = 13 K. Density functional theory calculations shed further light on these properties and also predict that the material should have anisotropic transport characteristics.
ISSN:2050-7526
2050-7534
DOI:10.1039/c7tc04798c