Dear Wien2kuser,
Would you please let me know what the energy ordering of the Ni-3d sub
orbitals (dxz, dyz, dxy, d(x2-y2), dz2) is in the Ni FCC crystal structure?
If am I am not wrong the point group symmetry of the Ni in the FCC
structure is D3d.
Thanks.
Regards,
Alex
__
Would you please let me know what the energy ordering of the Ni-3d sub
orbitals (dxz, dyz, dxy, d(x2-y2), dz2) is in the Ni FCC crystal
structure?
Sorry, for this, I don't know what your looking for. Someone else might
know.
The octahedral (Oh) splitting diagram?
https://en.wikipedia.org
Chemical Physics of Solids
01187 Dresden
Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo
[gs...@crimson.ua.edu]
Gesendet: Freitag, 26. Mai 2017 04:35
An: wien@zeus.theochem.tuwien.ac.at
Betreff: Re: [Wien] Energy ordering of th
olids
> 01187 Dresden
>
> Von: Wien [wien-boun...@zeus.theochem.tuwien.ac.at] im Auftrag von Gavin
> Abo [gs...@crimson.ua.edu]
> Gesendet: Freitag, 26. Mai 2017 04:35
> An: wien@zeus.theochem.tuwien.ac.at
> Betreff: Re: [Wien] Energy ordering
g von Alex
[alexanderwie...@gmail.com]
Gesendet: Freitag, 26. Mai 2017 21:37
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Energy ordering of the Ni-3d
Thanks Gavin and Gerhard,
I am interested in the D3d one when one look at the FCC crystal along the [111]
axes.
Actually, the central
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