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

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Abstract

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.

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

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Publication details

The article was received on 20 Oct 2017, accepted on 13 Nov 2017 and first published on 13 Nov 2017


Article type: Communication
DOI: 10.1039/C7TC04798C
Citation: J. Mater. Chem. C, 2018, Advance Article
  • Open access: Creative Commons BY license
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    Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9

    F. Wei, F. Brivio, Y. Wu, S. Sun, P. D. Bristowe and A. K. Cheetham, J. Mater. Chem. C, 2018, Advance Article , DOI: 10.1039/C7TC04798C

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