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-boun...@zeus.theochem.tuwien.ac.at [wien-boun...@zeus.theochem.tuwien.ac.at]" im Auftrag von "idris.09 idris [idris...@gmail.com] Gesendet: Dienstag, 29. Oktober 2013 11:40 An: wien@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 _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
