[Wien] f orbital under an external magnetic field

[Bin Shao]

Dear Prof. Plaha,

Thank you for the paper!

Best,

Bin

On Mon, Aug 24, 2015 at 2:00 PM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> Von: novakp at fzu.cz
> Datum: 07.08.2015 09:30
>
> Dear Bin Shao,
>
> we routinely calculate rare-earth magnetism in oxides and fluorides using
> combination of WIEN2k, Wannier90 and atomic-like program. Attached is our
> latest paper submitted to J. Rare Earth on RE Kramers ions in garnets.
> #### comment by P.Blaha:
> paper too big for the mailing list ! You can find the paper at
> http://www.wien2k.at/reg_user/unsupported/ at the "CFP" section.
> #####
> The method can also be applied to RE intermetalics, though there we have
> much less experience. Let me know if you are interested.
>
> Pavel
>
> > Dear Martin Pieper,
> >
> > Thank you for your reply.
> >
> > Actually, the energy difference can be observed by the photoluminescence
> > experiment. I want to make a demonstration for the experiment from
> > first-principles calculation.
> >
> > May I just ask why you go for the energy and not for the magnetization or
> >> the susceptibility?
> >
> >
> > I don't know how to calculate the susceptibility of a material from
> > first-principles calculation. According to the definition, it is a
> > constant
> > indicates the response of a material to an external magnetic field. I
> have
> > got the magnetic moments for a give field, then how to get the
> > susceptibility? Besides, I think the magnetic moments are almost the same
> > as 4T when I changed the magnitude of the magnetic field.
> >
> >   If there is some change of the crystal field ground state this should
> >> show.
> >
> >
> > Do you mean that the magnetic filed may be change the crystal field? I am
> > not quite sure how to connect these two things, the magnetic field and
> > crystal field.
> >
> > Best,
> >
> > Bin
>
>
>
> --
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-- 
Bin Shao
Postdoc
Department of Physics, Tsinghua University
Beijing 100084, P. R. China
Email: binshao1118 at gmail.com
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