Site preference of Zr in Heusler alloys Zr2YAl (Y = Cr, Mn, Fe, Co, Ni) and its influence on the electronic properties
文摘
L21 structure is more stable than XA in Heusler alloys Zr2YAl (Y = Cr, Mn, Fe, Co, Ni). Half-metallic and SGS characters in XA type Zr2YAl are destroyed in L21 structure. Site preference of Zr in Zr2YAl does not follow the “lighter atom rule”. A possible new Slater-Pauling curve M = Z−22 is reported in L21 type Zr2YAl.