A first-principle study on the properties of a new series of quaternary Heusler alloys CoFeScZ (Z=P, As, Sb)

•Investigate a new series of quaternary Heusler alloys CoFeScZ (Z=P, As, Sb).•The band gap of the half-metal CoFeScP is very large.•Study the magnetic properties and electronic structure of CoFeScP under the equilibrium lattice constant.•Investigate the influence of pressure on the magnetic properties and electronic structure of CoFeScAs and CoFeScSb.

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.