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Spin Hamiltonians in Magnets: Theories and Computations.

Xueyang LiHongyu YuFeng LouJunsheng FengMyung-Hwan WhangboHongjun Xiang
Published in: Molecules (Basel, Switzerland) (2021)
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.
Keyphrases
  • room temperature
  • density functional theory
  • single molecule
  • transition metal
  • molecular dynamics
  • working memory
  • molecularly imprinted
  • ionic liquid
  • high resolution
  • simultaneous determination