  Here we show that ordinary band structure codes can be used to understand the
mechanisms of coherent spin-injection at interfaces between ferromagnets and
semiconductors. This approach allows the screening of different material
combinations for properties useful for obtaining high tunneling
magnetoresistance (TMR). We used the Vienna Ab-initio Simulation Code (VASP) to
calculate the wave function character of each band in periodic epitaxial
Fe(100)|GaAs(100) and Fe(100)|ZnSe(100) structures. It is shown that Fe wave
functions of different symmetry near Fermi energy decay differently in the GaAs
and ZnSe.
