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-. With the synthesis of this material we unveil a design strategy for layered kagome systems with possible exotic magnetic states. Density functional theory calculations and effective model considerations for Cu4(OH)6FBr, which has a Cu2+ site coupling the kagome layers, predict a three-dimensional network of exchange couplings, which together with a substantial Dzyaloshinskii-Moriya coupling lead to canted antiferromagnetic ordering of this compound in excellent agreement with magnetic susceptibility measurements on single crystals yielding TN=15K.
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - Sep 10 2015|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics