Energy Band Structure and Electronic Properties of NiAs Type Compounds. I. Ferromagnetic Manganese Arsenide

A first calculation of the electron energy spectrum of ferromagnetic MnAs is made using the Green's function method. A potential model with variable occupation numbers determined from the condition of magnetic moment self‐consistence is employed. Strong hybridization of manganese 3d‐states and arsenic 4p‐states is obtained. In accordance with the experiment the conductivity has metallic character. The spin‐polarisation is shown to affect the electron structure formation considerably. The principal cross‐sections of the Fermi surface are plotted and discussed. The joint density of states and magnetic form factors are calculated and compared with the experiment.