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The structural, electronic and magnetic properties of half-Heusler compoundsXVSb (X $=$ Fe, Co and Ni) are investigated by using the density functionaltheory with generalized gradient approximation (GGA), and Tran-Blaha modifiedBecke-Johnson (TB-mBJ) exchange potential approximation. It is found that thehalf-metallic gaps are generally reasonably widened by mBJ as compared to theGGA approximation. The magnetic proprieties of XVSb (X $=$ Fe, Co and Ni) arewell defined within mBJ with an exact integer value of magnetic moment. Theband gaps given by TB-mBJ are in good agreement with the available theoreticaldata. The FeVSb exhibits a semiconductor nature. The CoVSb and NiVSb presenthalf-metallic behaviour with total magnetic moment of $1\mu_\text{B}$ and$2\mu_\text{B}$ in good agreement with Slater-Pauling rule. These alloys seemto be a potential candidate of spintronic devices.

Theoretical study of the structural stability, electronic and magnetic properties of XVSb (X $=$ Fe, Ni, and Co) half-Heusler compounds