[Wien] magnetic anisotropy and zero-field splitting

[binshao1118 at gmail.com]

Dear all,

I am puzzled by the conception of single ion anisotropy and zero-field splitting.  In wien2k, we can calculate magnetic anisotropy energy (MAE) of single ion by evolving spin-orbit coupling. However, in most experiments, another conception, zero-field splitting (ZFS), parametering by the D term, usually will be measured by EPR or spin polarized STM. ZFS is the removal spin microstate degeneracy for systems with S > 1/2 in the absence of an applied field and also causes magnetic anisotropy. I am wondering what is the relationship between the MAE and ZFS or how to calculate the D-term in wien2K?

Any comments and suggestions will be appreciated. Thank you in advance!

Best regards,




Bin Shao
Postdoc
Department of Physics, Tsinghua University
Beijing 100084, P. R. China
Email: binshao1118 at gmail.com
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