TY - JOUR
T1 - Barlowite as a canted antiferromagnet
T2 - Theory and experiment
AU - Jeschke, Harald O.
AU - Salvat-Pujol, Francesc
AU - Gati, Elena
AU - Hoang, Nguyen Hieu
AU - Wolf, Bernd
AU - Lang, Michael
AU - Schlueter, John A.
AU - Valentí, Roser
N1 - Publisher Copyright:
© 2015 American Physical Society. us.
PY - 2015/9/10
Y1 - 2015/9/10
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevB.92.094417
DO - 10.1103/PhysRevB.92.094417
M3 - Article
AN - SCOPUS:84942456205
SN - 1098-0121
VL - 92
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
IS - 9
M1 - 094417
ER -