The crystal structure of the radical ferromagnet 1a at 2 K reveals a contraction in the unit cell c constant which, at the molecular level, translates into a decrease in slippage of the radical π-stacks and an increase in ferromagnetic exchange interactions along the stacking axis. The results of BS-DFT calculations using long-range corrected functionals are consistent with an overall ferromagnetic topology.

中文翻译：

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对中性自由基铁磁体的晶体和磁性结构的低温洞察

自由基铁磁体1a在 2 K的晶体结构揭示了晶胞c常数的收缩，这在分子水平上转化为自由基 π 堆叠滑移的减少和沿堆叠轴的铁磁交换相互作用的增加. 使用长程校正泛函的 BS-DFT 计算结果与整体铁磁拓扑一致。