Half-metallic ferromagnetism in zinc-blende (CaX)1/(YX)1 (0Â 0Â 1)(YÂ =Â Al, Ga, and In; XÂ =Â N, P, and As) superlattices: A first-principles study

Using first-principles calculation based on density functional theory, the electronic and magnetic properties of zinc-blende (CaX)1/(YX)1 (Y = Al, Ga, and In; X = N, P, and As) superlattices in the (0 0 1) direction are investigated. Results show that all these nine superlattices are half-metals with a total magnetic moment of 1 μB. The ferromagnetism comes essentially from the p orbitals of the N, P, and As anions. Moreover, the large half-metallic gaps, the robust stability of the half-metallicity with respect to the lattice contraction, and the small mismatch of lattice constants between the predicted half-metallic superlattices and some corresponding zinc-blende semiconductors make them promising candidates for successful spintronics applications.