[Wien] Even/odd symmetry for ARPES

Peter Blaha pblaha at theochem.tuwien.ac.at
Fri Jun 6 21:43:49 CEST 2008


Yes, there is the "irrep" module which classifies all states according 
to its irreducuble representation. Inspection of the corresponding 
grouptable should easily tell you which band has even/odd character.

PS: For a non-symmorphic space group you have to avoid points at the 
surface of the BZ.

Lukasz Plucinski schrieb:
> In angle-resolved photoemission sometimes only bands with e.g. even 
> symmetry are observed.
> Is it possible to easily distinguish symmetry of the bands in Wien2k ?
> 
> To make things clear and specific: I am in particular interested to 
> reproduce the calculation on Fe(001) from Stroscio et al. PRL 75, 2960 
> (1995) for the purpose of my recent spin-polarized photoemission 
> measurements.
> 
> Lukasz
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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