[Wannier] Postw90 and Berry curvature origin

Vahid Askarpour vh261281 at dal.ca
Wed Jan 3 19:53:51 CET 2024


Dear Wannier90 Users,

Looking at the postw90 background paper (PRB74, 195118, 2006), in Fig. 3a, there is a large spike and several small spikes for the Berry curvature in Fe. The large peak is attributed to spin-orbit coupling with states above and below E_F. However, both small and large peaks produce small energy denominators in Eq. 31. This might be obvious to many but  why is the peak due to spin-orbit much larger than the other peaks?

Thanks,
Vahid

Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University,
Halifax, NS
CANADA


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