Table 1. The equilibrium lattice parameters, total and partial spin moments of the Co2−xRuxMnSi (x = 0, 0.25, 0.5, 0.75, 1) series alloys obtained by theoretical calculation and geometry optimization.
| Ru content (x) | ELP (Å) | M t (μB) | M Co(C) (μB) | M Co(A) (μB) | M Ru(C) (μB) | M Mn(B) (μB) | M Si(D) (μB) |
|---|---|---|---|---|---|---|---|
| 0 | 5.66 | 5.00 | 0.86 | 0.86 | – | 3.40 | −0.12 |
| 0.25 | 5.70 | 4.75 | 0.84 | 0.84 | −0.14 | 3.42 | −0.12 |
| 0.50 | 5.74 | 4.50 | 0.86 | 0.80 | −0.12 | 3.44 | −0.10 |
| 0.75 | 5.78 | 4.25 | 0.84 | 0.78 | −0.12 | 3.44 | −0.08 |
| 1.0 | 5.81 | 4.01 | – | 0.76 | −0.10 | 3.40 | −0.06 |