Sampson Gavin, Bristowe Nicholas C, Carr Sam T, Saib Asad, Stenning Gavin B G, Clark Ewan R, Saines Paul J
School of Physical Sciences, University of Kent, Canterbury, Kent, CT2 7NH, UK.
Centre for Materials Physics, Durham University, South Road, Durham, DH1 3LE, UK.
Chemistry. 2022 Jun 7;28(32):e202200855. doi: 10.1002/chem.202200855. Epub 2022 Apr 27.
This work describes a homometallic spin- tetrabromocuprate adopting a bilayer structure. Magnetic-susceptibility measurements show a broad maximum centred near 70 K, with fits to this data using a Heisenberg model consistent with strong antiferromagnetic coupling between neighbouring copper atoms in different layers of the bilayer. There are further weak intralayer ferromagnetic interactions between copper cations in neighbouring dimers. First-principles calculations are consistent with this, but suggest there is only significant magnetic coupling within one direction of a layer; this would suggest the presence of a spin ladder within the bilayer with antiferromagnetic rung and weaker ferromagnetic rail couplings.
这项工作描述了一种采用双层结构的同金属自旋 - 四溴铜酸盐。磁化率测量显示在70 K附近有一个宽峰，使用海森堡模型对该数据进行拟合，结果与双层不同层中相邻铜原子之间的强反铁磁耦合一致。相邻二聚体中的铜阳离子之间还存在较弱的层内铁磁相互作用。第一性原理计算与此一致，但表明在层的一个方向上只有显著的磁耦合；这表明双层中存在一个自旋梯子，其梯级为反铁磁耦合，轨道耦合较弱。
