标题： 五氯化铼蜂窝梯状化合物中交换相互作用的各向异性 显示英文标题

标题： Anisotropy of exchange interactions in honeycomb ladder compound ReCl5

摘要： Re5+(5d2)化合物具有大的自旋-轨道相互作用，这促使出现大的各向异性、非共线结构和其他现象。 这里我们展示由独立的Re2Cl10单元组成的ReCl5，这些单元由边共享的氯八面体形成。 它在TN1 = 35.5 K和TN2 = 13.2 K时通过直流、交流磁化率和比热观测到两个步骤的反铁磁有序态。 在4K时，可以通过相对弱的磁场m0H = 0.5 T通过反铁磁相变转变为具有自发磁矩的状态。 从头算计算给出了沿a轴形成的锯齿链中和之间的各向异性铁磁交换相互作用J1和J2。 沿c轴的锯齿链对通过铁磁相互作用J3耦合形成磁性蜂窝梯子。 这些梯子通过显著较弱的相互作用J4耦合。 显示英文摘要

摘要： The Re5+(5d2) compounds possess large spin-orbital interaction which urges for large anisotropy, non-collinear structures and other phenomena. Here we present ReCl5 composed by separate Re2Cl10 units formed by edge-shared chlorine octahedra. It demonstrates the formation of antiferromagnetically ordered state in two steps at TN1 = 35.5 K and TN2 = 13.2 K seen in dc-, ac-magnetic susceptibility and in specific heat. At 4K it can be transformed to the state with spontaneous magnetic moment by relatively weak magnetic field m0H = 0.5 T via metamagnetic phase transition. Ab initio calculations give anisotropic ferromagnetic exchange interactions J1 and J2 within and between rhenium pairs forming the zig-zag chains along the a-axis. Pairs of zig-zag chains are coupled by ferromagnetic interaction J3 along the c-axis into magnetic honeycomb ladders. The ladders are coupled by significantly weaker interaction J4.