Crystallographic and magnetic properties of Fe2P

The crystallographic and magnetic properties of Fe2P have been studied by neutron diffraction experiments, magnetization measurements and KKR method for band structure calculations. The measured atomic magnetic moments of tetrahedral Fe(3f) and pyramidal Fe(3g) sites are respectively (0.59+/-0.02)mu(B) and (2.22+/-0.01)mu(B), resulting in a net moment of (2.82+/-0.03)mu(B). This value is very close to that obtained from saturation magnetization measurements (H=150kOe, T=4K) which yield 2.87 mu(B) per formula unit. The results obtained from the KKR method are 0.80, 2.33, -0.03(1), -0.02(8)mu(B) for Fe and P sites respectively. The values are comparable with the measured atomic magnetic moments. Thermal evolution of magnetic moments, magnetization at saturation and cell parameters presents a sharp drop at the Curie temperature (217+/-2)K indicating a first order ferro - paramagnetic transition.