[Wien] f orbital under an external magnetic field

[pieper]

As an afterthought:

This most probably is the old problem of the energy zero in disguise. 
The Zeeman interaction you estimated and as accounted for in Wien2k is 
basically g*\mu_B*S*B. It gives you the energy difference between a 
moment pointing up and one pointing down. However, it has a vanishing 
trace, the zero is at B=0 and the center stays there.

Best regards,

Martin Pieper


---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564


Am 06.08.2015 04:55, schrieb 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
> 
> 
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