Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China.
Shanghai Qi Zhi Institute, Shanghai 200232, China.
Molecules. 2021 Feb 4;26(4):803. doi: 10.3390/molecules26040803.
The effective spin Hamiltonian method has drawn considerable attention for its power to explain and predict magnetic properties in various intriguing materials. In this review, we summarize different types of interactions between spins (hereafter, spin interactions, for short) that may be used in effective spin Hamiltonians as well as the various methods of computing the interaction parameters. A detailed discussion about the merits and possible pitfalls of each technique of computing interaction parameters is provided.
有效自旋哈密顿方法因其能够解释和预测各种有趣材料中的磁性而受到广泛关注。在这篇综述中，我们总结了有效自旋哈密顿中可能使用的自旋间不同类型的相互作用（以下简称自旋相互作用）以及计算相互作用参数的各种方法。详细讨论了计算相互作用参数的每种技术的优点和可能的缺陷。
