Table 2. Total and atom-resolved spin magnetic moments in μB for the FeMnZ alloys, where Z = Al, Ga, In or In0.5Al0.5, as a function of the lattice constants.
PCLC represents the percentage change of lattice constant with respect to those at equilibrium. Negative (or positive) signs of PCLC means the uniform strain is a contraction (or expansion).
| Compounds | a (Å) | PCLC (%) | Fe | Mn | Z | Total |
|---|---|---|---|---|---|---|
| FeMnGa | 5.55 | 0.91 | −1.92 | 2.04 | −0.11 | 0.00 |
| 5.50 | 0.00 | −1.68 | 1.78 | −0.10 | 0.00 | |
| 5.45 | −0.91 | −1.40 | 1.53 | −0.08 | 0.05 | |
| 5.35 | −2.70 | −0.78 | 0.91 | −0.06 | 0.06 | |
| FeMnAl | 5.44 | 0.00 | −0.74 | 0.91 | −0.06 | 0.11 |
| 5.70 | 4.78 | −2.24 | 2.38 | −0.14 | 0.00 | |
| FeMnIn | 5.98 | 0.00 | −2.93 | 3.70 | −0.15 | 0.71 |
| 5.70 | −4.68 | −2.21 | 2.33 | −0.12 | 0.00 | |
| FeMnIn0.5Al0.5 | 5.70 | 0.00 | −2.34 | 2.49 | −0.15 | 0.00 |