[Wien] band structure

[Nazma Ikram]

These atoms are in real space. The band structure is the collective result of all the atoms.Read the chapter on band structure in Principals of solid state Physics, C kittle. Solve a simple example by hand for one atom per unit cell & then modify the unit cell to contain two atoms in the basis.

Nazma
 
> From: fecher at uni-mainz.de
> To: wien at zeus.theochem.tuwien.ac.at
> Date: Wed, 6 May 2009 13:22:05 +0200
> Subject: Re: [Wien] band structure
> 
> just to remind you,
> the bandstructure is defined in momentum space and the atomic positions in real space,
> there are questions that can not be answered.
> 
> Ciao
> Gerhard
> 
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von b. abedi [abedi526 at gmail.com]
> Gesendet: Mittwoch, 6. Mai 2009 07:15
> An: wien at zeus.theochem.tuwien.ac.at
> Betreff: [Wien] band structure
> 
> Hello everyone,
> My question is about the data in "case.bands.agr" and
> "case.spaghetti_ene". In case of having, for instance, two type of
> atoms in the unit cell how can we realize which band indices are for
> which atom?
> Two days ago I posted this question in another form, but no one replied.
> 
> I appreciate your help,
> Bahram Abedi
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