Table 2 Values of elastic constants (Cij), bulk modulus (B), shear modulus (G), young’s modulus (E), poisson’s ratio (σ), Pugh ratio, Frantsevich ratio, shear anisotropy factor (A) cauchy pressure CP, sound velocities (m/s), Debye temperature ΘD (K) of PtTiZ (Z = Ge, Pb).
From: First-principles identification of PtTiGe and PtTiPb as high-efficiency thermoelectric half-Heuslers
Material property | PtTiGe | PtTiPb |
|---|---|---|
C11 (GPa) | 204.29 | 174.99 |
C12(GPa) | 129.99 | 96.49 |
C44(GPa) | 83.20 | 49.75 |
Bulk modulus, B (GPa) | 154.76 | 122.66 |
Shear modulus, G (GPa) | 60.20 | 45.24 |
Young modulus, E (GPa) | 159.87 | 120.88 |
Poisson ratio, σ (GPa) | 0.327 | 0.335 |
Pugh ratio, B/G (GPa) | 2.57 | 2.71 |
Shear anisotropy factor, A (GPa) | 2.23 | 1.26 |
Cauchy pressure CP (GPa) | 46.79 | 45.74 |
Transverse sound velocity (m/s) | 2494.33 | 1969.23 |
Longitudinal sound velocity(m/s) | 4928.48 | 3960.17 |
Average sound velocity (m/s) | 2796.15 | 2209.82 |
Temperature ΘD (K) | 317.336 | 237.142 |
Melting temperature \(\:{\mathbf{T}}_{\mathbf{m}}\)(K) | 1760.40 | 1587.22 |
