Half-metallic ferromagnetism of the full-Heusler compound : A first-principles study

The electronic and magnetic properties of the full-Heusler compound Co2MnP were studied using the full-potential augmented plane wave plus the local orbitals method within the density functional theory. Spin-polarized calculations predicted that the full-Heusler compound Co2MnP is a half-metallic ferromagnet with a magnetic moment of 6.00 μ B per formula unit and a spin-flip gap of 0.60 eV at its equilibrium lattice constant. The half-metallic ferromagnetism of the full-Heusler compound Co2MnP can be retained even when the lattice constant is changed by 1.2%.