Electronic Structures of the C14 Laves Phase Compounds AFe₂ (A=Mo, Hf, Ta, W)

抄録

The band structures of AFe₂(A=Mo, Hf, Ta, W) were calculated to examine the influence of the atom A on the electronic structures and the magnetic properties. The band structures are essentially unaffected by the difference in the kind of d bands of the atom A. The hybridization between d states of A and Fe becomes stronger with increasing the number of valence electrons of the atom A and affects the DOS curves of Fe(2a) and Fe(6h) around the Fermi level which are closely related with the magnetic properties for the C14 compounds. However, since the variation of the electronic structure with the change of the atom A is not so drastic, we can roughly guess the magnetic properties of the C14 compounds with the rigid-band-model.