SELF-CONSISTENT SEMI-RELATIVISTIC ENERGY BAND STRUCTURE OF fcc AND TETRAGONAL Ni METAL.

Results are reported of semi-relativistic self-consistent spin-polarized linear muffin-tin orbital (LMTO) energy band calculations of both fcc and tetragonal Ni (with lattice parameters chosen to approximate those appropriate for the CuNi coherent modulated film system). Ferromagnetic Ni is perhaps the best studied (both experimentally and theoretically) of the magnetic transition metals. Hence, its study permits a detailed comparison of the prediction of present semi-relativistic self-consistent LMTO scheme with experiment and those of other theoretical approaches. The good agreement obtained here serves to establish its accuracy and reliability for treating the electronic structure and properties of magnetic metals, in general, and that of tetragonal Ni, in particular.