[Wien] (no subject)

[Fecher, Gerhard]

Your result should be correct, Co2CrGa is not a type I half metal,
see the article:
Calculated electronic and magnetic properties of the half-metallic, transition metal based Heusler compounds
H C Kandpal, G H Fecher, and C  Felser; J. Phys. D: Appl. Phys. 40 (2007) 1507–1523
or the textbook
Spintronics, Eds.: C. Felser,  G. H. Fecher; Springer (2013)

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
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 "idris.09 idris [idris.09 at gmail.com]
Gesendet: Dienstag, 29. Oktober 2013 11:40
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] (no subject)

sorry as i have not posted the problem in better way,
Actually i am calculating the bandstructure of a halfmetallic heusler alloy. instead of a semiconductor as it should be in the spin down configuration, i am getting a band structure which is slightly above the fermi level. The material is Co2CrGa
i hope now the problem is understandable