Effect of Chemical Disorder on Half-Metallicity of Fe₂CrZ (Z = IIIb, IV, Vb Element)

Abstract

The electronic structures were systematically calculated for Heusler alloys X₂YZ (X and Y = 3d transition element, Z = IIIb, IVb, Vb element). The results show that alloys Fe₂CrZ have the high density-of-state at the Fermi energy in the majority-spin state and show high spin polarization. The effects of chemical disorder on the half-metallicity and magnetic moment are discussed on the basis of the electronic structures. Considering three types of chemical disorder, we show that among the alloys Fe₂CrZ, there are high spin polarized materials insensitive to chemical disorder and that Fe–Cr chemical disorder may occur.