# Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co

@article{Lounis2010MappingTM, title={Mapping the magnetic exchange interactions from first principles: Anisotropy anomaly and application to Fe, Ni, and Co}, author={Samir Lounis and Peter H. Dederichs}, journal={Physical Review B}, year={2010}, volume={82}, pages={180404} }

Mapping the magnetic exchange interactions from model Hamiltonian to density functional theory is a crucial step in multi-scale modeling calculations. Considering the usual magnetic force theorem but with arbitrary rotational angles of the spin moments, a spurious anisotropy in the standard mapping procedure is shown to occur provided by bilinear-like contributions of high order spin interactions. The evaluation of this anisotropy gives a hint on the strength of non-bilinear terms…

## 21 Citations

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- Materials Science, MedicineJournal of physics. Condensed matter : an Institute of Physics journal
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