The effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co2(Cr1-xFex)Al were analyzed using the first-principles density functional calculation. It was shown that Co2(Cr0.6Fe0.4)Al preserves the high spin polarization even in the disordered B2 structure, where (Cr,Fe) and Al randomly occupy octahedral sites of the alloy. It was found that the disorder between Co and (Cr,Fe) considerably reduces the the spin polarization. The results show that control of the disorder between Co and (Co,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys.
ASJC Scopus subject areas
- Physics and Astronomy(all)