Electronic structure of Ti-48Al-2M1-2M2 (M1 = Nb, V; M2 = Mn, Cr, V) alloys

The electronic and energy-band structures of the title alloys have been studied by using the tight-binding method within the extended Huckel approximation(EHT). The results show that each doping element has an independent effect on the electronic population of TiAl and it is addable when multi-doping. To select suitable alloying elements in gamma-TiAl may gain mutual compensation in mechanical properties. The multi-doping of elements is more effective for changing the bonding electronic cloud between Ti and At into spherical, and making Peierls forces symmetrical. The results may be beneficial to the increase of the changeability of the shape and plasticity of materials.