Abstract
The spin exchange interactions of the triangular spin tube system CsCrF4 were evaluated by performing mapping analysis on the basis of density functional theory calculations. Our results show that the exchange J1 for the triangular ring and the exchange J2 along the chain are both antiferromagnetic with the ratio J1/J2≈0.5, so the spin gap of CsCrF4 is too small to be experimentally detected. This finding is consistent with the experimental observation and theoretical analysis. The possible ways of preparing a triangular spin tube with observable spin gap was discussed.
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