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Electronic properties of 3d transition metal-(Fe wi, Co, Ni) with both bcc and fcc crystalline structures are analyzed based on ab initio band structure calculations. The effect of chemical ordering as in MnNi and FeNi systems are investigated in the framework of disordered local moment model and using arguments based on charge transfer, exchange splitting and hybridization arguments.

Keywords: transition metal, band calculation, DFT, KKR