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Employing first-principles calculations we study the structural, electronicand magnetic properties of the [Sc$_{1-x}$V$_x$]C and [Sc$_{1-x}$V$_x$]Sialloys. In their equilibrium rocksalt structure all alloys are non-magnetic.The zincblende and wurtzite structures are degenerated with respect to thetotal energy. For all concentrations the alloys in these lattice structures arehalf-metallic with the gap located in the spin-down band. The total spin momentfollows the Slater-Pauling behavior varying linearly between the -1 $\mu_B$ ofthe perfect ScC and ScSi alloys and the +1 $\mu_B$ of the perfect VC and VSialloys. For the intermediate concentrations V and Sc atoms have antiparallelspin magnetic moments and the compounds are half-metallic ferrimagnets. At thecritical concentration, both [Sc$_{0.5}$V$_{0.5}$]C and [Sc$_{0.5}$V$_{0.5}$]Sialloys present zero total spin-magnetic moment but the C-based alloy shows asemiconducting behavior contrary to the Si-based alloys which is ahalf-metallic antiferromagnet.

journal of magnetism and magnetic materials

Half-metallic ferrimagnetism in the [Sc$_{1-x}$V$_x$]C and [Sc$_{1-x}  $V$_x$]Si alloys adopting the zinc-blende and wurtzite structures from  first-principles