Spin Hamiltonians in Magnets: Theories and Computations

Molecules

Myung-Hwan Whangbo¹  Xueyang Li²  Hongjun Xiang²  Junsheng Feng²  Hongyu Yu²  Feng Lou² 

[1] Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA;Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China;

关键词: spin Hamiltonian;    magnetism;    energy-mapping analysis;    four-state method;    Green’s function method;   

DOI  :  10.3390/molecules26040803

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown