[Wien] character of the state in band structure

[Sherif Yehia]

Dear Prof.  Cottenier 

    Thank you very much for the clear and detailed
answer. that was so helpul

  With my best wishes 
  Have a wonderful new year

   Sherif Yehia  



<Stefaan.Cottenier at fys.kuleuven.ac.be> wrote:

> 
> >        I have very simple question regarding
> > ``band-character plotting``
> > Which as it say in the user guide “energy is drawn
> by
> > a circle whose   radius is proportional to the
> > specified character of that state” 
> >     I am not able to understand (Pl forgive my
> limited
> > experience  with band structure) This phrase
> specially
> > “character of the state”.
> >  So my two questions are
> >   1-Is it the projection of the state? 
> 
> The band character is the degree of s-, p-, d- or
> f-character of a 
> particular state, hence the projection, indeed. If
> you use band-
> character plotting for s-character, then the more
> s-character a state 
> has, the larger the circles drawn in the spagetti
> plot will be. If a 
> state has only s-character, you will see the circle
> only in the s-
> character plot. If it has mixed s-d character, then
> the two plots for 
> s-character and d-character will show circles, etc.
> 
> >   2-Are there is any relation between peaks in DOS
> 
> > for a given state and those character for that
> state in 
> >    band structure.
> 
> Yes, the relation is analogous to the one between
> the full spaghetti 
> plot and the full DOS, as shown on fig. B-5 of my
> DFT/LAPW textbook ( 
> http://www.wien2k.at/reg_user/textbooks/ ). Replace
> the picture to the 
> left by e.g. the d-character plot, and the picture
> to the right by the 
> partial d-DOS, and you will see a lot of circles in
> the spaghetti for 
> those energies where the d-DOS is non-zero.
> 
> Stefaan
> 
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>
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> 



	
		
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