[Wien] Question about criteria for adding intraband contribution in optical property calculation

[Rocquefelte]

You need to consider intraband transitions only if the Fermi level is 
crossing a band.
If you are considering semiconducting materials, you are not in this 
situation.
Thus you should not include the intraband transitions, because there is 
no intraband transitions, as soon as you have a band gap separating the 
VB and the CB.

Regards

Xavier


Le 6/6/2013 4:25 AM, shamik chakrabarti a écrit :
> Dear Wien2k users,
>
>        I have a basic question regarding calculation of optical 
> properties of a semiconducting material. My question is:
>
> When we should add contribution of intraband transition to the 
> calculation of dielectric tensor?...i.e. if there is any thumb rule 
> that for certain cases (non metal) we can neglect intraband 
> transitions or is it always necessary to add it??
>
> Any response in this regard will be very helpful for us.
>
> with regards,
>
> -- 
> Shamik Chakrabarti
> Senior Research Fellow
> Dept. of Physics & Meteorology
> Material Processing & Solid State Ionics Lab
> IIT Kharagpur
> Kharagpur 721302
> INDIA
>
>
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