[Wien] character of the state in band structure
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.ac.be
Thu Dec 30 15:39:02 CET 2004
> 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
More information about the Wien
mailing list