I. Turek et al., ITINERANT MAGNETISM OF DISORDERED FE-CO AND NI-CU ALLOYS IN 2-DIMENSIONS AND 3-DIMENSIONS, Physical review. B, Condensed matter, 49(5), 1994, pp. 3352-3362
The electronic structure and band magnetism of disordered Fe100-xCox a
nd Ni100-xCux bulk alloys and of corresponding disordered overlayers o
n an fee Cu(001) substrate were studied by means of the first-principl
es tight-binding linear muffin-tin orbital coherent potential approxim
ation method. For the Fe-Co system, we found that the composition depe
ndence of the averaged and the local Fe magnetic moments is strongly a
ffected by the dimensionality of the system while the local Co moments
remain nearly constant. In the bulk bcc alloys, a nonmonotonic behavi
or of the averaged magnetization occurs due to the transition from wea
k to strong ferromagnetism. The averaged magnetization of the random o
verlayers depends linearly on the composition while the local Fe and C
o moments are constant since the strong ferromagnetism is stabilized b
y the substrate throughout the whole composition range. For the Ni-Cu
system, a transition from ferromagnetism to paramagnetism is found bot
h in the bulk fee alloys and in the overlayers. The ferromagnetism of
the overlayers is reduced in comparison to the bulk systems of the sam
e composition. The concentration trends of local densities of states,
local numbers of electrons, and work functions are discussed.