Table 3. Calculated elastic constants C ij, bulk modulus B, shear modulus G, Young’s modulus E (GPa), anisotropy factor A, Pugh’s ratio B/G, and formation and cohesive energies (eV) for the EQH compounds MCoVZ (M = Lu, Y; Z = Si, Ge) with type III structure.
EQH compound | C 11 | C 12 | C 44 | B | G | E | A | B/G | Formation energy | Cohesive energy |
---|---|---|---|---|---|---|---|---|---|---|
LuCoVSi | 174.8 | 60.7 | 41.1 | 98.8 | 46.9 | 121.5 | 0.72 | 2.10 | −0.83 | 22.05 |
LuCoVGe | 142.3 | 47.8 | 38.6 | 79.3 | 41.8 | 106.8 | 0.81 | 1.89 | −0.47 | 22.54 |
YCoVSi | 158.3 | 56.5 | 40.0 | 90.4 | 44.0 | 113.7 | 0.78 | 2.05 | −1.07 | 23.05 |
YCoVGe | 167.3 | 67.7 | 57.7 | 100.9 | 54.4 | 138.3 | 1.15 | 1.85 | −0.32 | 23.65 |