Barlowite as a canted antiferromagnet: theory and experiment

Abstract

We investigate the structural, electronic and magnetic properties of the newly synthesized mineral barlowite Cu4(OH)6FBr which contains Cu2+ ions in a perfect kagome arrangement. In contrast to the spin-liquid candidate herbertsmithite ZnCu3(OH)6Cl2, kagome layers in barlowite are perfectly aligned due to the different bonding environments adopted by F- and Br- compared to Cl-. We perform density functional theory calculations to obtain the Heisenberg Hamiltonian parameters of Cu4(OH)6FBr which has a Cu2+ site coupling the kagome layers. The 3D network of exchange couplings together with a substantial Dzyaloshinskii-Moriya coupling lead to canted antiferromagnetic ordering of this compound at TN=15 K as observed by magnetic susceptibility measurements on single crystals.

5 pages, 6 figures

References in corpus (2)

• Theoretical prediction of a strongly correlated Dirac metal
• Barlowite: A Spin-1/2 Antiferromagnet with a Geometrically Perfect Kagome Motif

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