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

Published version
Peer-reviewed

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Authors

Wei, F 
Sun, S 
Bristowe, PD 

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 P6_3/mmc with a = 7.5427(8) and c = 18.5849(13) {\AA}), 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.

Description

Keywords

physics.chem-ph, physics.chem-ph, cond-mat.mtrl-sci

Journal Title

Journal of Materials Chemistry C

Conference Name

Journal ISSN

2050-7534
2050-7526

Volume Title

6

Publisher

Royal Society of Chemistry (RSC)