A first-principle study of half-metallic ferrimagnetism in the CoFeTiSb quaternary Heusler compound

• First-principles calculations investigate the electronic and magnetic properties of CoFeTiSb.
• The total magnetic moment is 2µB for the optimized lattice constant of 6.08 Å.
• Fully spin polarization for the lattice parameter interval 5.74–6.42 Å.

We have performed first-principle calculations of the structural, electronic and magnetic properties of CoFeTiSb quaternary Heusler compound, using full-potential linearized augmented plane wave (FP-LAPW) scheme within the GGA. Features such as the lattice constant, the bulk modulus and its pressure derivative are reported. The electronic band structures and density of states of the CoFeTiSb quaternary compound show that the spin-up electrons are metallic, but the spin-down bands have a gap of 0.53 eV, resulting in stable half-metallic ferrimagnetic behavior with a magnetic moment of 2.00µB.