Magnetic interactions in the S = 1/2 square-lattice antiferromagnets Ba2CuTeO6 and Ba2CuWO6: parent phases of a possible spin liquid.

Otto H J Mustonen Sami VasalaHeather MutchChris I ThomasGavin B G StenningElisa Baggio-SaitovitchEdmund J CussenMaarit Karppinen

Published in: Chemical communications (Cambridge, England) (2019)

The isostructural double perovskites Ba2CuTeO6 and Ba2CuWO6 are shown by theory and experiment to be frustrated square-lattice antiferromagnets with opposing dominant magnetic interactions. This is driven by differences in orbital hybridisation of Te6+ and W6+. A spin-liquid-like ground state is predicted for Ba2Cu(Te1-xWx)O6 solid solution similar to recent observations in Sr2Cu(Te1-xWx)O6.

Keyphrases

room temperature
ionic liquid
molecularly imprinted
density functional theory
mass spectrometry