Electronic Structures and Magnetic Properties of the C14 Laves Phase Compounds ZrMn2, TiFe2and NbFe2

The electronic structures were calculated by the KKR and the local-spin-density methods for ZrMn 2 , TiFe 2 and NbFe 2 . The densites-of-states (DOS's) of the C14 Laves phase compounds AB 2 are characterized by the DOS's of the atoms B(2a) and B(6h) around the Fermi level which play an important role in investigating their magnetism. We can guess from the structures of the DOS's and the number of valence electrons whether or not a compound is magnetic.