Abstract
We have investigated theoretically the effects of atomic disorder on the electronic and magnetic structures of the full-Heusler alloy Co2(Cr1−xFex)Al using the first-principles density functional calculation with the Korringa–Kohn–Rostoker coherent-potential approximation. It was found 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. On the other hand, the disorder between Co and (Cr,Fe) considerably reduces the spin polarization. Furthermore, the total magnetic moment of Co2(Cr0.6Fe0.4)Al decreases with increasing disorder between Co and (Cr,Fe) due to the antiferromagnetic coupling of the antisite Cr with the ordinary site Cr. These results indicate that control of the disorder between Co and (Cr,Fe) is crucial in order to obtain highly spin polarized full-Heusler alloys Co2(Cr1−xFex)Al.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
