Largely enhanced compressive strength and plastic deformation of Fe-doped all-d-metal heusler alloy Cr2CoV

The structure dynamic stability, magnetic property, strength, and plastic deformation of all-d-metal Heusler alloys Cr2Co1-xFexV (x = 0, 0.2, 0.4, 0.6, 0.8, and 1) have been investigated in this study. It is found that Cr2Co1-xFexV alloys tend to crystalize in the XA-type Heusler phase. The atomic radius becomes the decisive factor in determining the lattice size. With the increase of Fe concentration, the interaction between Cr(B)-Fe atoms increases, resulting in the increase of Curie temperature. The magnetic moments of the Cr2CoV and Cr2FeV are analyzed in conjunction with the theoretical calculations. The ductility and compressive strength of the materials gradually increase with the increase of Fe content. Especially in Cr2FeV alloy, a high compressive strength of up to 3050 MPa and a large ductility of up to 61% are achieved, and no fracture occurs, showing excellent mechanical properties. The electron localization function diagram shows that d-d orbital hybridization is formed and weak in Cr2CoV and Cr2FeV alloys, which helps to form metal bonds. Consequently, the ductility of the all-d-metal Heusler alloys was improved, which increased the fatigue life in practical application. •Fe doped alloy Cr2Co1-xFexV can improve the mechanical property of Cr2CoV.•Cr2FeV has a high engineering stress of 3050 MPa and a large ductility of 61%.•d-d hybridization forms metallic bonds which improves mechanical properties.