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Issue 77, 2019
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Order–disorder transition in the S = ½ kagome antiferromagnets claringbullite and barlowite

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Abstract

The transition in the quantum magnets barlowite, Cu4(OH)6FBr, and claringbullite, Cu4(OH)6FCl is of an order–disorder type, where at ambient temperature interlayer Cu2+ ions are dynamically disordered over three equivalent positions. The disorder becomes static as the temperature is decreased, resulting in a lowering of symmetry. Ab initio density functional theory calculations explain this structural phase transition and provide insights regarding the differences between these two materials.

Graphical abstract: Order–disorder transition in the S = ½ kagome antiferromagnets claringbullite and barlowite

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Article information


Submitted
26 Jun 2019
Accepted
28 Aug 2019
First published
29 Aug 2019

Chem. Commun., 2019,55, 11587-11590
Article type
Communication
Author version available

Order–disorder transition in the S = ½ kagome antiferromagnets claringbullite and barlowite

A. Henderson, L. Dong, S. Biswas, H. I. Revell, Y. Xin, R. Valenti, J. A. Schlueter and T. Siegrist, Chem. Commun., 2019, 55, 11587
DOI: 10.1039/C9CC04930D

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