Table 4 Calculated total magnetic moment Mtot per 4 formula units in Bohr magneton (µB) and in emu/g, compared to the experimental saturation magnetization MS in emu/g, as well as spin magnetic moments of Ni, Co and Cu in µB, calculated using the PBE-GGA method.
Mtot (µB) | Mtot (emu/g) | MS (emu/g)* | M(Ni) (µB) | M(Co) (µB) | M(Cu) (µB) | |
---|---|---|---|---|---|---|
Cu30 | 3.231 | 75.20 | 45.97 | 0.531 | 1.672 | 0.036 |
Cu50 | 2.162 | 49.34 | 33.04 | 0.539 | 1.572 | 0.058 |
Cu70 | 1.835 | 20.54 | 19.06 | 0.331 | 1.484 | 0.014 |