[Wien] question about optical transitions in the solid
Rocquefelte
xavier.rocquefelte at cnrs-imn.fr
Tue Apr 30 13:52:47 CEST 2013
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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