[Wien] f orbital under an external magnetic field

[Bin Shao]

Dear all,

I made calculations of a compound with Er^3+(4f^11 5d^0 6s^0, ground state
S=3/2, L=6, J=15/2) doping under an external magnetic field. I got the
corresponding occupation of Er^3+ with 7 electrons in majority spin and 4
electrons in minority spin. With soc including, I got eigenvalues at Gamma
point of the Er^3+ under the magnetic field from 4 Tesla to 45 Tesla.
However, the picture indicates that the eigenvalues with the different
magnetic fields almost keep the same as that of 4 T. Why? According to a
simple estimation, the magnetic field of 45 T will introduce an energy
shift about 10 meV, that would definitely be seen from the figure.

Any comments will be appreciated. Thank you in advance!

Best regards,

Bin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150806/46c70b15/attachment.html>