Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3 Fe2 Br9
Published version
Peer-reviewed
Repository URI
Repository DOI
Type
Article
Change log
Authors
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
2050-7526
Volume Title
6
Publisher
Royal Society of Chemistry (RSC)