Calculated values of elastic constant (Cij), bulk modulus (B), shear modulus (G), Young's modulus (E), Poisson's ratio (σ), Pugh ratio (B/G), Frantsevich ratio (G/B), shear anisotropy factor (A), Cauchy pressure CP, sound velocities (m s−1), and Debye temperature θD (K) of Ti2FeAs at P = 0 GPa and T = 0 K.
| Material property | Calculated value |
|---|---|
| Elastic constant C11 (GPa) | 126.54 |
| Elastic constant C12 (GPa) | 69.04 |
| Elastic constant C44 (GPa) | 15.08 |
| Bulk modulus, B (GPa) | 88.21 (ref. 55) |
| Shear modulus, G (GPa) | 20.55 |
| Young's modulus, E (GPa) | 57.21 |
| Poisson ratio, σ (GPa) | 0.39 |
| Vickers hardness | 1.49 |
| Pugh ratio, B/G | 4.29 |
| Frantsevich ratio, G/B | 0.23 |
| Shear anisotropy factor, A (GPa) | 0.52 |
| Cauchy pressure CP (GPa) | 53.96 |
| Transverse sound velocity (m s−1) | 1738 |
| Longitudinal sound velocity (m s−1) | 4200 |
| Average sound velocity (m s−1) | 1967 |
| Temperature θD (K) | 192 |
| Melting temperature Tmelt (K) | 1762.3 |