Theoretical Prediction of Materials to Preserve High Spin Polarization against Chemical Disorder

Abstract

Materials with high spin polarization at the Fermi energy (E_F) are searched by the systematic band calculation for Heusler alloys X₂YZ. It is shown that materials with high density-of-state (DOS) for the majority-spin state at the E_F tend to maintain high spin polarization against chemical disorder. Such materials are predicted, using the characteristics of DOS of Heusler alloys. As a candidates, X₂(Cr_xMn_1−x)Z will be proposed, where X is combination between transition elements including at least one of Fe, Ru and Os, and Z is combination among IIIb, IVb and Vb elements.