Electronic structures and magnetic properties of T₂P (T=Mn, Fe, Ni)

The electronic structures of T₂P (T=Mn, Fe, Ni) which have two types of T atoms T_I and T_II, were calculated by the KKR and the LMTO methods in the framework of the LSD approximation. From the position of the Fermi level in the paramagnetic DOS, one can roughly guess that Mn₂P exhibits antiferromagnetism, Fe₂P ferromagnetism and Ni₂P paramagnetism and that the magnetic moment is smaller on T_I than on T_II in T₂P. The existence of the very sharp and high peak of DOS at the Fermi level suggests that the magnetic properties of Fe₂P are sensitive to the experimental conditions. Electrons transfer from the P and T_II atoms to T_I atoms.