论文标题
分子磁铁ni $ _4 $ mo $ $ _ {12} $中的磁化步骤
Magnetization steps in the molecular magnet Ni$_4$Mo$_{12}$ revealed by complex exchange bridges
论文作者
论文摘要
我们研究具有复杂桥接结构的分子磁体的磁化和磁化率的行为。我们的计算是基于用于原子质键的复杂网络的户外循环方法和有效的旋转式汉密尔顿网络的基础，该网络捕获了磁分子的基本磁特征。设计的方法和构造的哈密顿量进一步用来表征分子磁铁Ni $ _4 $ MO $ $ _ {12} $的磁性特性。所获得的结果在定量和定性上都重现了磁谱的主要特征。此外，磁化和低视野易感性的计算与其实验对应物非常吻合。在这方面，它们可以改善传统的海森堡模型获得的结果。
We study the behavior of the magnetization and the magnetic susceptibility of molecular magnets with complex bridging structure. Our computations are based on a post-Hartree-Fock method accounting for the intricate network of interatomic bonds and an effective spin-like Hamiltonian that captures the essential magnetic features of magnetic molecules. The devised method and the constructed Hamiltonian are further employed to characterize the magnetic properties of the molecular magnet Ni$_4$Mo$_{12}$. The obtained results reproduce both quantitatively and qualitatively the main features of the magnetic spectrum. Furthermore, the computations for the magnetization and the low-field susceptibility are in very good agreement with their experimental counterparts. In this respect, they improve upon the results obtained with conventional Heisenberg models.
