Abstract

Abstract The electronic structures and magnetic properties of a new series of quaternary Heusler alloys CoFeScZ (Z=P, As, Sb) are investigated through first-principle calculations. CoFeScP is found to have half-metallic ferromagnetism with a large half-metallic gap of 0.60 eV. The results show that both CoFeScAs and CoFeScSb are nearly half-metal under the equilibrium lattice constants. The change of the properties of CoFeScAs and CoFeScSb with pressure is investigated.

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