Table 1
The calculated equilibrium lattice constants, gap width, the calculated total and partial magnetic moments for the Mn2CrZ (Z = Al, Ga, In, Si, Ge, Sn and Sb) alloys.
| Compound | a [Å] | Gap width [eV] | mtotal [μB] | mMn(A) [μB] | mMn(B) [μB] | mRh [μB] | mZ [μB] |
|---|---|---|---|---|---|---|---|
| Mn2RhAl | 5.80 | 0.20 | 2.00 | –1.56 | 3.18 | 0.38 | 0.00 |
| Mn2RhGa | 5.82 | – | 2.02 | –1.64 | 3.30 | 0.36 | 0.00 |
| Mn2RhIn | 6.10 | – | 1.61 | –2.62 | 3.84 | 0.38 | 0.04 |
| Mn2RhSi | 5.73 | 0.17 | 3.00 | –0.50 | 3.16 | 0.32 | 0.02 |
| Mn2RhGe | 5.79 | 0.16 | 3.00 | –0.58 | 3.24 | 0.34 | 0.00 |
| Mn2RhSn | 6.01 | 0.11 | 3.00 | –0.80 | 3.46 | 0.32 | 0.00 |
| Mn2RhSb | 6.02 | 0.41 | 4.00 | 0.14 | 3.52 | 0.36 | 0.00 |
Fig. 1
The calculated spin-projected total and partial DOS plots for (a) Mn2RhAl, (b) Mn2RhGa, (c) Mn2RhIn, (d) Mn2RhSi, (e) Mn2RhGe, (f) Mn2RhSn, and (g) Mn2RhSb.
Fig. 2
The calculated total DOS of Mn2RhZ (Z = Al, Ga, In, Si, Ge, Sn, Sb).
Fig. 3
The calculated band structure plots for (a) Mn2RhAl, (b) Mn2RhSi, and (c) Mn2RhSb.
Fig. 4
The calculated total magnetic moments as functions of the Mn2RhZ (Z = Al, Ge, Sb) Heusler alloys.
Fig. 5
Total energy difference D Etotal = Etotal(c/a) – Etotal(c/a = 1) between cubic (c/a = 1) and tetragonally-distorted phases, calculated as a function of c/a ratio along the constant volume for Mn2RhAl Heusler alloy.