Spin Hamiltonians in Magnets: Theories and Computations
Xueyang Li,
Hongyu Yu,
Feng Lou,
Junsheng Feng,
Myung-Hwan Whangbo,
Hongjun Xiang
Affiliations
Xueyang Li
Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China
Hongyu Yu
Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China
Feng Lou
Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China
Junsheng Feng
Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China
Myung-Hwan Whangbo
Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA
Hongjun Xiang
Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, Department of Physics, Fudan University, Shanghai 200433, China
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.