[Wien] question about optical transitions in the solid

[Rocquefelte]

In a solid (or a molecule) you have orbital overlap, i.e. orbital 
character mixing.
Thus the initial and final states are not purely Oxygen and Metal (due 
to the covalency).
For instance, the O(p) band will have a small M(d) character if the d 
orbital contribute to the bonding.
Thus you will have p->d and d->f transitions.

Regards

Xavier



Le 4/30/2013 1:44 PM, abdel Mar.. a écrit :
> Dear Wien2k user
>
> i have a question about selection rule, in optical transitions
> a selection rule, or transition rule, formally constrains the possible 
> transitions
> of a system from one state to another  delta l= +- 1.
>
> it's OK only for transitions in the same atom or in all the solid? so
> if i have a oxide (MO2  for example)  it's physically correct to say:
>  i have  transitions between O(p) states and M(f) states in spite
>  of non respecting the selection rule  delta l <>+-1?
>
> thanks
>
>
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